data_18428 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N0N1 domains of Neisseria meningitidis Pilus assembly protein PilQ ; _BMRB_accession_number 18428 _BMRB_flat_file_name bmr18428.str _Entry_type original _Submission_date 2012-04-27 _Accession_date 2012-04-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phelan Marie M. . 2 Berry Jamie-Lee . . 3 Derrick jeremy P. . 4 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 781 "13C chemical shifts" 721 "15N chemical shifts" 209 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-03 original author . stop_ _Original_release_date 2013-01-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and assembly of a trans-periplasmic channel for type IV pili in Neisseria meningitidis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23028322 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berry Jamie-Lee . . 2 Phelan Marie M. . 3 Collins Richard F. . 4 Adomavicius Tomas . . 5 Tnjum Tone . . 6 Frye Stefan A. . 7 Bird Louise . . 8 Owens Ray . . 9 Ford Robert C. . 10 Lian Lu-Yun . . 11 Derrick Jeremy P. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_name_full 'PLoS pathogens' _Journal_volume 8 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . loop_ _Keyword 'Neisseria meningitidis.' PilQ secretion T2SS 'Type iv pilus' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PilQ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PilQ_N0N1 $PilQ_N0N1 stop_ _System_molecular_weight 26149.8016 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PilQ_N0N1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PilQ_N0N1 _Molecular_mass 26149.8016 _Mol_thiol_state 'not present' loop_ _Biological_function 'secretion channel' 'type IV pilus secretin' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 237 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSFTGRKI SLDFQDVEIRTILQILAKES GMNIVASDSVNGKMTLSLKD VPWDQALDLVMQARNLDMRQ QGNIVNIAPRDELLAKDKAF LQAEKDIADLGALYSQNFQL KYKNVEEFRSILRLDNADTT GNRNTLVSGRGSVLIDPATN TLIVTDTRSVIEKFRKLIDE LDVPAQQVMIEARIVEAADG FSRDLGVKFGATGKKKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 309 MET 2 310 GLY 3 311 SER 4 312 SER 5 313 HIS 6 314 HIS 7 315 HIS 8 316 HIS 9 317 HIS 10 318 HIS 11 319 SER 12 320 SER 13 321 GLY 14 322 LEU 15 323 VAL 16 324 PRO 17 325 ARG 18 326 GLY 19 327 SER 20 328 HIS 21 329 MET 22 330 ALA 23 331 SER 24 332 MET 25 333 THR 26 334 GLY 27 335 GLY 28 336 GLN 29 337 GLN 30 338 MET 31 339 GLY 32 340 ARG 33 341 GLY 34 342 SER 35 343 PHE 36 344 THR 37 345 GLY 38 346 ARG 39 347 LYS 40 348 ILE 41 349 SER 42 350 LEU 43 351 ASP 44 352 PHE 45 353 GLN 46 354 ASP 47 355 VAL 48 356 GLU 49 357 ILE 50 358 ARG 51 359 THR 52 360 ILE 53 361 LEU 54 362 GLN 55 363 ILE 56 364 LEU 57 365 ALA 58 366 LYS 59 367 GLU 60 368 SER 61 369 GLY 62 370 MET 63 371 ASN 64 372 ILE 65 373 VAL 66 374 ALA 67 375 SER 68 376 ASP 69 377 SER 70 378 VAL 71 379 ASN 72 380 GLY 73 381 LYS 74 382 MET 75 383 THR 76 384 LEU 77 385 SER 78 386 LEU 79 387 LYS 80 388 ASP 81 389 VAL 82 390 PRO 83 391 TRP 84 392 ASP 85 393 GLN 86 394 ALA 87 395 LEU 88 396 ASP 89 397 LEU 90 398 VAL 91 399 MET 92 400 GLN 93 401 ALA 94 402 ARG 95 403 ASN 96 404 LEU 97 405 ASP 98 406 MET 99 407 ARG 100 408 GLN 101 409 GLN 102 410 GLY 103 411 ASN 104 412 ILE 105 413 VAL 106 414 ASN 107 415 ILE 108 416 ALA 109 417 PRO 110 418 ARG 111 419 ASP 112 420 GLU 113 421 LEU 114 422 LEU 115 423 ALA 116 424 LYS 117 425 ASP 118 426 LYS 119 427 ALA 120 428 PHE 121 429 LEU 122 430 GLN 123 431 ALA 124 432 GLU 125 433 LYS 126 434 ASP 127 435 ILE 128 436 ALA 129 437 ASP 130 438 LEU 131 439 GLY 132 440 ALA 133 441 LEU 134 442 TYR 135 443 SER 136 444 GLN 137 445 ASN 138 446 PHE 139 447 GLN 140 448 LEU 141 449 LYS 142 450 TYR 143 451 LYS 144 452 ASN 145 453 VAL 146 454 GLU 147 455 GLU 148 456 PHE 149 457 ARG 150 458 SER 151 459 ILE 152 460 LEU 153 461 ARG 154 462 LEU 155 463 ASP 156 464 ASN 157 465 ALA 158 466 ASP 159 467 THR 160 468 THR 161 469 GLY 162 470 ASN 163 471 ARG 164 472 ASN 165 473 THR 166 474 LEU 167 475 VAL 168 476 SER 169 477 GLY 170 478 ARG 171 479 GLY 172 480 SER 173 481 VAL 174 482 LEU 175 483 ILE 176 484 ASP 177 485 PRO 178 486 ALA 179 487 THR 180 488 ASN 181 489 THR 182 490 LEU 183 491 ILE 184 492 VAL 185 493 THR 186 494 ASP 187 495 THR 188 496 ARG 189 497 SER 190 498 VAL 191 499 ILE 192 500 GLU 193 501 LYS 194 502 PHE 195 503 ARG 196 504 LYS 197 505 LEU 198 506 ILE 199 507 ASP 200 508 GLU 201 509 LEU 202 510 ASP 203 511 VAL 204 512 PRO 205 513 ALA 206 514 GLN 207 515 GLN 208 516 VAL 209 517 MET 210 518 ILE 211 519 GLU 212 520 ALA 213 521 ARG 214 522 ILE 215 523 VAL 216 524 GLU 217 525 ALA 218 526 ALA 219 527 ASP 220 528 GLY 221 529 PHE 222 530 SER 223 531 ARG 224 532 ASP 225 533 LEU 226 534 GLY 227 535 VAL 228 536 LYS 229 537 PHE 230 538 GLY 231 539 ALA 232 540 THR 233 541 GLY 234 542 LYS 235 543 LYS 236 544 LYS 237 545 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value EMBL CAM09716 "pilus secretin [Neisseria meningitidis FAM18]" 85.23 589 100.00 100.00 2.15e-137 EMBL CKK77493 "type IV pilus secretin PilQ [Neisseria meningitidis]" 86.08 434 99.51 100.00 3.60e-140 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PilQ_N0N1 'Neisseria meningitidis' 487 Bacteria . Neisseria meningitidis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $PilQ_N0N1 'recombinant technology' . Escherichia coli . pET28a 'non-native purification tag 308-342' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PilQ_N0N1 600 uM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Topspin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task 'Processing and acquisition' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with TCI cryporobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with TCI cryporobe' save_ ############################# # NMR applied experiments # ############################# save_CBCACONH_(H[N[co[{CA|ca[C]}]]])_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'CBCACONH (H[N[co[{CA|ca[C]}]]])' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNCACO_(H[N[ca[CO]]])_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACO (H[N[ca[CO]]])' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC/HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC/HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC/HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_hbhaconh_(H[N[co[{ca[H]|ca[c[H]]}]]])_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'hbhaconh (H[N[co[{ca[H]|ca[c[H]]}]]])' _Sample_label $sample_1 save_ save_hbhanh_(H[N[{ca[H]|ca[c[H]}]])_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'hbhanh (H[N[{ca[H]|ca[c[H]}]])' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC/HMQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $sample_1 save_ save_Cb_Hd_(hbCBcgcdHD)_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'Cb_Hd (hbCBcgcdHD)' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'CBCACONH (H[N[co[{CA|ca[C]}]]])' '3D HNCACB' 'HNCACO (H[N[ca[CO]]])' '3D HNCO' '2D 1H-15N HSQC/HMQC' '2D 1H-13C HSQC/HMQC' '3D HNCA' 'hbhaconh (H[N[co[{ca[H]|ca[c[H]]}]]])' 'hbhanh (H[N[{ca[H]|ca[c[H]}]])' '3D HCCH-TOCSY' 'Cb_Hd (hbCBcgcdHD)' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PilQ_N0N1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.519 0.001 1 2 2 2 GLY N N 110.636 0.007 1 3 3 3 SER H H 8.252 0.003 1 4 3 3 SER N N 115.597 0.013 1 5 10 10 HIS C C 174.168 0.005 1 6 11 11 SER H H 8.165 0.004 1 7 11 11 SER HA H 4.387 0.001 1 8 11 11 SER HB2 H 3.759 0.001 2 9 11 11 SER HB3 H 3.801 0.001 2 10 11 11 SER C C 174.623 0.001 1 11 11 11 SER CA C 58.461 0.065 1 12 11 11 SER CB C 63.846 0.046 1 13 11 11 SER N N 115.524 0.023 1 14 12 12 SER H H 8.410 0.004 1 15 12 12 SER HA H 4.375 0.001 1 16 12 12 SER HB2 H 3.824 0.001 2 17 12 12 SER C C 174.858 0.035 1 18 12 12 SER CA C 58.628 0.001 1 19 12 12 SER CB C 63.854 0.009 1 20 12 12 SER N N 118.000 0.027 1 21 13 13 GLY H H 8.319 0.001 1 22 13 13 GLY HA2 H 3.877 0.001 2 23 13 13 GLY C C 173.742 0.013 1 24 13 13 GLY CA C 45.193 0.022 1 25 13 13 GLY N N 110.405 0.014 1 26 14 14 LEU H H 7.976 0.001 1 27 14 14 LEU HA H 4.282 0.001 1 28 14 14 LEU HB2 H 1.464 0.001 2 29 14 14 LEU HB3 H 1.513 0.001 2 30 14 14 LEU C C 176.996 0.005 1 31 14 14 LEU CA C 55.017 0.001 1 32 14 14 LEU CB C 42.342 0.002 1 33 14 14 LEU N N 121.412 0.009 1 34 15 15 VAL H H 8.029 0.001 1 35 15 15 VAL HA H 4.348 0.001 1 36 15 15 VAL HB H 1.968 0.001 1 37 15 15 VAL C C 174.290 0.001 1 38 15 15 VAL CA C 59.699 0.001 1 39 15 15 VAL CB C 32.500 0.001 1 40 15 15 VAL N N 122.359 0.015 1 41 20 20 HIS HA H 4.540 0.001 1 42 20 20 HIS HB2 H 3.030 0.001 2 43 20 20 HIS HB3 H 3.062 0.001 2 44 20 20 HIS C C 175.327 0.001 1 45 20 20 HIS CA C 56.383 0.001 1 46 20 20 HIS CB C 30.289 0.001 1 47 21 21 MET H H 8.145 0.004 1 48 21 21 MET HA H 4.331 0.001 1 49 21 21 MET HB2 H 1.971 0.001 2 50 21 21 MET C C 176.008 0.021 1 51 21 21 MET CA C 55.598 0.023 1 52 21 21 MET CB C 32.690 0.009 1 53 21 21 MET N N 121.192 0.015 1 54 22 22 ALA H H 8.233 0.002 1 55 22 22 ALA HA H 4.225 0.001 1 56 22 22 ALA HB H 1.319 0.001 1 57 22 22 ALA C C 177.715 0.009 1 58 22 22 ALA CA C 52.777 0.01 1 59 22 22 ALA CB C 19.106 0.05 1 60 22 22 ALA N N 124.758 0.015 1 61 23 23 SER H H 8.128 0.001 1 62 23 23 SER HA H 4.363 0.001 1 63 23 23 SER HB2 H 3.776 0.001 2 64 23 23 SER HB3 H 3.821 0.001 2 65 23 23 SER C C 174.769 0.005 1 66 23 23 SER CA C 58.372 0.003 1 67 23 23 SER CB C 63.741 0.009 1 68 23 23 SER N N 114.166 0.007 1 69 24 24 MET H H 8.298 0.001 1 70 24 24 MET HA H 4.505 0.001 1 71 24 24 MET HB2 H 1.965 0.001 2 72 24 24 MET HB3 H 2.071 0.001 2 73 24 24 MET C C 176.467 0.007 1 74 24 24 MET CA C 55.668 0.009 1 75 24 24 MET CB C 32.827 0.001 1 76 24 24 MET N N 122.027 0.009 1 77 25 25 THR H H 8.058 0.002 1 78 25 25 THR HA H 4.312 0.001 1 79 25 25 THR HB H 4.194 0.001 1 80 25 25 THR C C 175.145 0.008 1 81 25 25 THR CA C 61.876 0.005 1 82 25 25 THR CB C 69.749 0.009 1 83 25 25 THR N N 113.810 0.008 1 84 26 26 GLY H H 8.338 0.002 1 85 26 26 GLY HA2 H 3.927 0.001 2 86 26 26 GLY C C 174.693 0.006 1 87 26 26 GLY CA C 45.470 0.008 1 88 26 26 GLY N N 111.077 0.007 1 89 27 27 GLY H H 8.240 0.002 1 90 27 27 GLY HA2 H 3.889 0.001 2 91 27 27 GLY C C 174.228 0.006 1 92 27 27 GLY CA C 45.249 0.001 1 93 27 27 GLY N N 108.503 0.008 1 94 28 28 GLN H H 8.224 0.002 1 95 28 28 GLN HA H 4.246 0.001 1 96 28 28 GLN HB2 H 1.909 0.001 2 97 28 28 GLN HB3 H 2.023 0.001 2 98 28 28 GLN C C 175.976 0.014 1 99 28 28 GLN CA C 55.938 0.011 1 100 28 28 GLN CB C 29.341 0.005 1 101 28 28 GLN N N 119.621 0.025 1 102 29 29 GLN H H 8.420 0.001 1 103 29 29 GLN HA H 4.251 0.001 1 104 29 29 GLN HB2 H 1.897 0.001 2 105 29 29 GLN HB3 H 2.021 0.001 2 106 29 29 GLN C C 175.958 0.001 1 107 29 29 GLN CA C 55.897 0.009 1 108 29 29 GLN CB C 29.218 0.023 1 109 29 29 GLN N N 121.219 0.015 1 110 30 30 MET H H 8.378 0.002 1 111 30 30 MET HA H 4.393 0.001 1 112 30 30 MET HB2 H 1.928 0.001 2 113 30 30 MET HB3 H 2.020 0.001 2 114 30 30 MET C C 176.640 0.006 1 115 30 30 MET CA C 55.584 0.028 1 116 30 30 MET CB C 32.730 0.01 1 117 30 30 MET N N 121.498 0.008 1 118 31 31 GLY H H 8.417 0.003 1 119 31 31 GLY HA2 H 3.874 0.001 2 120 31 31 GLY C C 174.060 0.008 1 121 31 31 GLY CA C 45.297 0.018 1 122 31 31 GLY N N 110.000 0.026 1 123 32 32 ARG H H 8.173 0.002 1 124 32 32 ARG HA H 4.238 0.001 1 125 32 32 ARG HB2 H 1.662 0.001 2 126 32 32 ARG HB3 H 1.794 0.001 2 127 32 32 ARG C C 176.635 0.004 1 128 32 32 ARG CA C 56.021 0.0 1 129 32 32 ARG CB C 30.516 0.019 1 130 32 32 ARG N N 120.239 0.014 1 131 33 33 GLY H H 8.245 0.01 1 132 33 33 GLY HA2 H 3.729 0.001 2 133 33 33 GLY C C 173.390 0.002 1 134 33 33 GLY CA C 44.962 0.001 1 135 33 33 GLY N N 109.503 0.04 1 136 34 34 SER H H 7.751 0.001 1 137 34 34 SER HA H 4.170 0.001 1 138 34 34 SER HB2 H 3.484 0.001 2 139 34 34 SER HB3 H 3.548 0.001 2 140 34 34 SER C C 173.370 0.001 1 141 34 34 SER CA C 57.649 0.001 1 142 34 34 SER CB C 63.667 0.002 1 143 34 34 SER N N 115.120 0.012 1 144 35 35 PHE H H 8.086 0.003 1 145 35 35 PHE HA H 4.675 0.001 1 146 35 35 PHE HB2 H 3.095 0.001 2 147 35 35 PHE C C 176.620 0.011 1 148 35 35 PHE CA C 57.696 0.016 1 149 35 35 PHE CB C 38.943 0.002 1 150 35 35 PHE N N 122.405 0.036 1 151 36 36 THR H H 9.080 0.006 1 152 36 36 THR HA H 4.438 0.014 1 153 36 36 THR HB H 4.344 0.005 1 154 36 36 THR HG2 H 0.989 0.001 1 155 36 36 THR C C 175.102 0.033 1 156 36 36 THR CA C 61.064 0.044 1 157 36 36 THR CB C 70.408 0.037 1 158 36 36 THR CG2 C 21.280 0.001 1 159 36 36 THR N N 115.024 0.042 1 160 37 37 GLY H H 9.218 0.007 1 161 37 37 GLY HA2 H 3.731 0.001 2 162 37 37 GLY C C 172.865 0.012 1 163 37 37 GLY CA C 45.082 0.01 1 164 37 37 GLY N N 114.519 0.054 1 165 38 38 ARG H H 8.256 0.003 1 166 38 38 ARG HA H 3.751 0.001 1 167 38 38 ARG HB2 H 1.866 0.001 2 168 38 38 ARG HB3 H 1.936 0.001 2 169 38 38 ARG C C 175.742 0.005 1 170 38 38 ARG CA C 57.094 0.04 1 171 38 38 ARG CB C 30.942 0.036 1 172 38 38 ARG N N 121.168 0.042 1 173 39 39 LYS H H 8.335 0.007 1 174 39 39 LYS HA H 4.111 0.001 1 175 39 39 LYS HB2 H 1.597 0.001 2 176 39 39 LYS C C 176.491 0.001 1 177 39 39 LYS CA C 56.753 0.079 1 178 39 39 LYS CB C 33.486 0.001 1 179 39 39 LYS N N 123.709 0.03 1 180 40 40 ILE H H 8.738 0.002 1 181 40 40 ILE HA H 4.648 0.011 1 182 40 40 ILE HB H 1.859 0.005 1 183 40 40 ILE HG12 H 1.307 0.004 2 184 40 40 ILE HG13 H 1.186 0.006 2 185 40 40 ILE HG2 H 0.863 0.006 1 186 40 40 ILE HD1 H 0.745 0.003 1 187 40 40 ILE C C 174.608 0.013 1 188 40 40 ILE CA C 59.220 0.092 1 189 40 40 ILE CB C 42.536 0.043 1 190 40 40 ILE CG1 C 25.619 0.081 1 191 40 40 ILE CG2 C 18.388 0.044 1 192 40 40 ILE CD1 C 14.669 0.026 1 193 40 40 ILE N N 117.743 0.029 1 194 41 41 SER H H 8.125 0.002 1 195 41 41 SER HA H 3.805 0.001 1 196 41 41 SER HB2 H 3.603 0.001 2 197 41 41 SER C C 172.722 0.028 1 198 41 41 SER CA C 57.386 0.067 1 199 41 41 SER CB C 65.464 0.015 1 200 41 41 SER N N 115.558 0.042 1 201 42 42 LEU H H 8.510 0.008 1 202 42 42 LEU HA H 4.356 0.009 1 203 42 42 LEU HB2 H 1.226 0.012 2 204 42 42 LEU HB3 H 1.143 0.005 2 205 42 42 LEU HG H 1.390 0.009 1 206 42 42 LEU HD1 H 0.851 0.002 2 207 42 42 LEU HD2 H 0.765 0.003 2 208 42 42 LEU C C 173.941 0.062 1 209 42 42 LEU CA C 53.722 0.044 1 210 42 42 LEU CB C 46.683 0.053 1 211 42 42 LEU CG C 26.738 0.001 1 212 42 42 LEU CD1 C 24.067 0.022 2 213 42 42 LEU CD2 C 26.559 0.029 2 214 42 42 LEU N N 122.968 0.053 1 215 43 43 ASP H H 7.975 0.004 1 216 43 43 ASP HA H 4.975 0.006 1 217 43 43 ASP HB2 H 2.997 0.001 2 218 43 43 ASP HB3 H 2.256 0.001 2 219 43 43 ASP C C 173.760 0.006 1 220 43 43 ASP CA C 53.512 0.001 1 221 43 43 ASP CB C 42.778 0.046 1 222 43 43 ASP N N 121.978 0.042 1 223 44 44 PHE H H 8.709 0.003 1 224 44 44 PHE HA H 4.903 0.001 1 225 44 44 PHE HB2 H 2.865 0.001 2 226 44 44 PHE HB3 H 2.923 0.001 2 227 44 44 PHE C C 174.982 0.027 1 228 44 44 PHE CA C 55.897 0.056 1 229 44 44 PHE CB C 41.676 0.021 1 230 44 44 PHE N N 121.130 0.051 1 231 45 45 GLN H H 8.962 0.003 1 232 45 45 GLN HA H 4.278 0.001 1 233 45 45 GLN HB2 H 1.965 0.001 2 234 45 45 GLN HB3 H 1.859 0.001 2 235 45 45 GLN C C 173.344 0.005 1 236 45 45 GLN CA C 54.607 0.02 1 237 45 45 GLN CB C 28.907 0.02 1 238 45 45 GLN N N 124.720 0.04 1 239 46 46 ASP H H 8.406 0.005 1 240 46 46 ASP HA H 3.773 0.001 1 241 46 46 ASP HB2 H 2.266 0.001 2 242 46 46 ASP HB3 H 2.872 0.001 2 243 46 46 ASP C C 173.491 0.001 1 244 46 46 ASP CA C 55.243 0.001 1 245 46 46 ASP CB C 40.180 0.034 1 246 46 46 ASP N N 126.546 0.046 1 247 47 47 VAL H H 7.989 0.003 1 248 47 47 VAL HA H 4.243 0.008 1 249 47 47 VAL HB H 1.534 0.011 1 250 47 47 VAL HG1 H 0.986 0.001 2 251 47 47 VAL HG2 H 0.938 0.002 2 252 47 47 VAL C C 175.252 0.016 1 253 47 47 VAL CA C 60.762 0.041 1 254 47 47 VAL CB C 34.719 0.126 1 255 47 47 VAL CG1 C 22.828 0.014 2 256 47 47 VAL CG2 C 21.497 0.017 2 257 47 47 VAL N N 118.271 0.013 1 258 48 48 GLU H H 8.531 0.004 1 259 48 48 GLU HA H 4.321 0.007 1 260 48 48 GLU HB2 H 1.906 0.001 2 261 48 48 GLU HG2 H 2.385 0.001 2 262 48 48 GLU HG3 H 2.329 0.014 2 263 48 48 GLU C C 178.149 0.004 1 264 48 48 GLU CA C 57.336 0.039 1 265 48 48 GLU CB C 29.457 0.027 1 266 48 48 GLU CG C 37.085 0.001 1 267 48 48 GLU N N 124.894 0.031 1 268 49 49 ILE H H 8.814 0.007 1 269 49 49 ILE HA H 3.363 0.01 1 270 49 49 ILE HB H 1.434 0.014 1 271 49 49 ILE HG12 H 0.878 0.008 2 272 49 49 ILE HG13 H 1.234 0.01 2 273 49 49 ILE HG2 H 0.513 0.007 1 274 49 49 ILE HD1 H 0.585 0.025 1 275 49 49 ILE C C 177.469 0.031 1 276 49 49 ILE CA C 64.231 0.098 1 277 49 49 ILE CB C 37.120 0.044 1 278 49 49 ILE CG1 C 29.321 0.028 1 279 49 49 ILE CG2 C 17.127 0.037 1 280 49 49 ILE CD1 C 13.018 0.02 1 281 49 49 ILE N N 125.892 0.059 1 282 50 50 ARG H H 8.949 0.005 1 283 50 50 ARG HA H 3.600 0.001 1 284 50 50 ARG HB2 H 2.244 0.001 2 285 50 50 ARG C C 178.405 0.002 1 286 50 50 ARG CA C 60.713 0.022 1 287 50 50 ARG CB C 29.810 0.001 1 288 50 50 ARG N N 117.873 0.04 1 289 51 51 THR H H 6.984 0.004 1 290 51 51 THR HA H 3.905 0.006 1 291 51 51 THR HB H 4.236 0.007 1 292 51 51 THR HG2 H 1.105 0.004 1 293 51 51 THR C C 175.504 0.005 1 294 51 51 THR CA C 66.075 0.07 1 295 51 51 THR CB C 68.132 0.035 1 296 51 51 THR CG2 C 21.894 0.001 1 297 51 51 THR N N 116.773 0.046 1 298 52 52 ILE H H 7.457 0.006 1 299 52 52 ILE HA H 2.988 0.001 1 300 52 52 ILE HB H 1.690 0.005 1 301 52 52 ILE HG2 H 0.418 0.0 1 302 52 52 ILE HD1 H 0.386 0.006 1 303 52 52 ILE C C 177.848 0.001 1 304 52 52 ILE CA C 65.923 0.001 1 305 52 52 ILE CB C 37.285 0.132 1 306 52 52 ILE CG2 C 15.967 0.001 1 307 52 52 ILE CD1 C 14.167 0.001 1 308 52 52 ILE N N 122.355 0.035 1 309 53 53 LEU H H 8.248 0.005 1 310 53 53 LEU HA H 3.780 0.013 1 311 53 53 LEU HB2 H 1.125 0.017 2 312 53 53 LEU HB3 H 1.839 0.015 2 313 53 53 LEU HG H 1.717 0.001 1 314 53 53 LEU HD1 H 0.580 0.005 2 315 53 53 LEU HD2 H 0.593 0.004 2 316 53 53 LEU C C 178.112 0.017 1 317 53 53 LEU CA C 57.977 0.003 1 318 53 53 LEU CB C 40.931 0.073 1 319 53 53 LEU CG C 26.364 0.001 1 320 53 53 LEU CD1 C 22.202 0.066 2 321 53 53 LEU CD2 C 26.356 0.039 2 322 53 53 LEU N N 116.048 0.053 1 323 54 54 GLN H H 7.437 0.003 1 324 54 54 GLN HA H 4.092 0.001 1 325 54 54 GLN HB2 H 2.154 0.001 2 326 54 54 GLN HB3 H 2.257 0.001 2 327 54 54 GLN C C 179.309 0.011 1 328 54 54 GLN CA C 58.599 0.069 1 329 54 54 GLN CB C 28.097 0.011 1 330 54 54 GLN N N 118.211 0.035 1 331 55 55 ILE H H 8.039 0.003 1 332 55 55 ILE HA H 3.789 0.01 1 333 55 55 ILE HB H 2.098 0.009 1 334 55 55 ILE HG12 H 1.761 0.004 2 335 55 55 ILE HG13 H 1.310 0.008 2 336 55 55 ILE HG2 H 1.038 0.003 1 337 55 55 ILE HD1 H 0.888 0.008 1 338 55 55 ILE C C 178.646 0.022 1 339 55 55 ILE CA C 64.685 0.08 1 340 55 55 ILE CB C 37.416 0.037 1 341 55 55 ILE CG1 C 29.123 0.036 1 342 55 55 ILE CG2 C 17.500 0.027 1 343 55 55 ILE CD1 C 13.148 0.024 1 344 55 55 ILE N N 122.975 0.038 1 345 56 56 LEU H H 8.413 0.005 1 346 56 56 LEU HA H 3.896 0.016 1 347 56 56 LEU HB2 H 1.875 0.012 2 348 56 56 LEU HB3 H 1.246 0.017 2 349 56 56 LEU HD1 H 0.706 0.012 2 350 56 56 LEU C C 179.867 0.02 1 351 56 56 LEU CA C 58.078 0.001 1 352 56 56 LEU CB C 41.268 0.166 1 353 56 56 LEU CD1 C 26.054 0.084 2 354 56 56 LEU N N 119.381 0.03 1 355 57 57 ALA H H 8.565 0.004 1 356 57 57 ALA HA H 3.753 0.001 1 357 57 57 ALA HB H 1.594 0.001 1 358 57 57 ALA C C 179.056 0.01 1 359 57 57 ALA CA C 55.485 0.045 1 360 57 57 ALA CB C 18.489 0.047 1 361 57 57 ALA N N 124.496 0.032 1 362 58 58 LYS H H 7.631 0.003 1 363 58 58 LYS HA H 3.913 0.001 1 364 58 58 LYS HB2 H 1.962 0.001 2 365 58 58 LYS C C 179.688 0.01 1 366 58 58 LYS CA C 59.123 0.073 1 367 58 58 LYS CB C 31.832 0.003 1 368 58 58 LYS N N 119.204 0.016 1 369 59 59 GLU H H 8.119 0.004 1 370 59 59 GLU HA H 4.027 0.001 1 371 59 59 GLU HB2 H 1.924 0.001 2 372 59 59 GLU C C 177.632 0.006 1 373 59 59 GLU CA C 57.542 0.017 1 374 59 59 GLU CB C 29.546 0.021 1 375 59 59 GLU N N 115.824 0.039 1 376 60 60 SER H H 7.585 0.003 1 377 60 60 SER HA H 3.040 0.009 1 378 60 60 SER HB2 H 2.273 0.007 2 379 60 60 SER HB3 H 2.090 0.005 2 380 60 60 SER C C 175.454 0.021 1 381 60 60 SER CA C 59.482 0.058 1 382 60 60 SER CB C 64.219 0.104 1 383 60 60 SER N N 111.000 0.04 1 384 61 61 GLY H H 7.631 0.005 1 385 61 61 GLY HA2 H 2.917 0.001 2 386 61 61 GLY HA3 H 3.060 0.001 2 387 61 61 GLY C C 173.823 0.003 1 388 61 61 GLY CA C 45.785 0.062 1 389 61 61 GLY N N 110.893 0.037 1 390 62 62 MET H H 7.868 0.006 1 391 62 62 MET HA H 4.431 0.007 1 392 62 62 MET HB2 H 1.563 0.015 2 393 62 62 MET HG2 H 2.114 0.005 2 394 62 62 MET HG3 H 1.958 0.001 2 395 62 62 MET C C 174.903 0.005 1 396 62 62 MET CA C 53.937 0.025 1 397 62 62 MET CB C 34.056 0.028 1 398 62 62 MET CG C 32.090 0.022 1 399 62 62 MET N N 119.364 0.048 1 400 63 63 ASN H H 8.492 0.004 1 401 63 63 ASN HA H 4.689 0.001 1 402 63 63 ASN HB2 H 2.808 0.001 2 403 63 63 ASN HB3 H 2.682 0.001 2 404 63 63 ASN C C 173.762 0.006 1 405 63 63 ASN CA C 51.918 0.049 1 406 63 63 ASN CB C 37.984 0.015 1 407 63 63 ASN N N 120.484 0.034 1 408 64 64 ILE H H 7.444 0.002 1 409 64 64 ILE HA H 4.677 0.003 1 410 64 64 ILE HB H 1.512 0.012 1 411 64 64 ILE HG13 H 1.382 0.001 2 412 64 64 ILE HG2 H 0.669 0.001 1 413 64 64 ILE HD1 H 0.659 0.001 1 414 64 64 ILE C C 175.277 0.015 1 415 64 64 ILE CA C 60.896 0.088 1 416 64 64 ILE CB C 38.921 0.116 1 417 64 64 ILE CG2 C 17.648 0.001 1 418 64 64 ILE CD1 C 12.440 0.028 1 419 64 64 ILE N N 123.085 0.018 1 420 65 65 VAL H H 9.014 0.01 1 421 65 65 VAL HA H 4.132 0.005 1 422 65 65 VAL HB H 1.878 0.007 1 423 65 65 VAL HG1 H 0.740 0.001 2 424 65 65 VAL HG2 H 0.746 0.007 2 425 65 65 VAL C C 174.600 0.008 1 426 65 65 VAL CA C 61.192 0.058 1 427 65 65 VAL CB C 33.649 0.053 1 428 65 65 VAL CG1 C 20.645 0.001 2 429 65 65 VAL CG2 C 20.780 0.001 2 430 65 65 VAL N N 129.924 0.03 1 431 66 66 ALA H H 8.831 0.003 1 432 66 66 ALA HA H 5.081 0.001 1 433 66 66 ALA HB H 1.158 0.001 1 434 66 66 ALA C C 177.503 0.016 1 435 66 66 ALA CA C 49.849 0.04 1 436 66 66 ALA CB C 19.441 0.013 1 437 66 66 ALA N N 130.046 0.017 1 438 67 67 SER H H 8.420 0.005 1 439 67 67 SER HA H 4.284 0.001 1 440 67 67 SER HB2 H 3.879 0.001 2 441 67 67 SER C C 175.596 0.023 1 442 67 67 SER CA C 58.072 0.001 1 443 67 67 SER CB C 63.932 0.053 1 444 67 67 SER N N 118.824 0.052 1 445 68 68 ASP H H 8.945 0.005 1 446 68 68 ASP HA H 4.320 0.001 1 447 68 68 ASP HB2 H 2.641 0.001 2 448 68 68 ASP C C 176.300 0.035 1 449 68 68 ASP CA C 56.942 0.05 1 450 68 68 ASP CB C 40.088 0.008 1 451 68 68 ASP N N 124.104 0.039 1 452 69 69 SER H H 7.861 0.004 1 453 69 69 SER HA H 3.812 0.001 1 454 69 69 SER HB2 H 4.208 0.001 2 455 69 69 SER C C 174.809 0.05 1 456 69 69 SER CA C 58.013 0.015 1 457 69 69 SER CB C 62.900 0.015 1 458 69 69 SER N N 111.066 0.037 1 459 70 70 VAL H H 7.495 0.002 1 460 70 70 VAL HA H 3.748 0.011 1 461 70 70 VAL HB H 2.122 0.013 1 462 70 70 VAL HG1 H 0.919 0.003 2 463 70 70 VAL HG2 H 0.659 0.001 2 464 70 70 VAL C C 173.665 0.004 1 465 70 70 VAL CA C 63.685 0.074 1 466 70 70 VAL CB C 30.403 0.109 1 467 70 70 VAL CG1 C 22.898 0.016 2 468 70 70 VAL CG2 C 21.306 0.01 2 469 70 70 VAL N N 123.261 0.021 1 470 71 71 ASN H H 7.939 0.004 1 471 71 71 ASN HA H 4.982 0.001 1 472 71 71 ASN HB2 H 2.814 0.001 2 473 71 71 ASN HB3 H 2.746 0.001 2 474 71 71 ASN C C 173.970 0.019 1 475 71 71 ASN CA C 52.282 0.015 1 476 71 71 ASN CB C 41.273 0.018 1 477 71 71 ASN N N 124.967 0.036 1 478 72 72 GLY H H 8.613 0.002 1 479 72 72 GLY HA2 H 3.787 0.001 2 480 72 72 GLY C C 173.313 0.018 1 481 72 72 GLY CA C 43.936 0.004 1 482 72 72 GLY N N 107.475 0.034 1 483 73 73 LYS H H 8.286 0.005 1 484 73 73 LYS HA H 4.862 0.001 1 485 73 73 LYS HB2 H 1.449 0.001 2 486 73 73 LYS C C 175.622 0.012 1 487 73 73 LYS CA C 55.195 0.021 1 488 73 73 LYS CB C 36.749 0.001 1 489 73 73 LYS N N 118.298 0.023 1 490 74 74 MET H H 8.775 0.003 1 491 74 74 MET HA H 4.643 0.009 1 492 74 74 MET HB2 H 1.860 0.007 2 493 74 74 MET HB3 H 1.732 0.071 2 494 74 74 MET HG2 H 2.158 0.01 2 495 74 74 MET C C 173.080 0.003 1 496 74 74 MET CA C 55.340 0.012 1 497 74 74 MET CB C 37.309 0.002 1 498 74 74 MET CG C 31.445 0.027 1 499 74 74 MET N N 117.634 0.044 1 500 75 75 THR H H 8.218 0.004 1 501 75 75 THR HA H 4.795 0.014 1 502 75 75 THR HB H 3.924 0.002 1 503 75 75 THR HG2 H 1.301 0.003 1 504 75 75 THR C C 173.108 0.001 1 505 75 75 THR CA C 61.518 0.069 1 506 75 75 THR CB C 71.157 0.001 1 507 75 75 THR CG2 C 21.374 0.001 1 508 75 75 THR N N 119.442 0.043 1 509 76 76 LEU H H 8.867 0.003 1 510 76 76 LEU HA H 4.596 0.007 1 511 76 76 LEU HB2 H 1.408 0.009 2 512 76 76 LEU HB3 H 1.630 0.007 2 513 76 76 LEU HD1 H 0.796 0.022 2 514 76 76 LEU HD2 H 0.849 0.002 2 515 76 76 LEU C C 173.536 0.029 1 516 76 76 LEU CA C 54.658 0.042 1 517 76 76 LEU CB C 46.620 0.057 1 518 76 76 LEU CD1 C 26.293 0.103 2 519 76 76 LEU N N 127.585 0.052 1 520 77 77 SER H H 8.591 0.004 1 521 77 77 SER HA H 3.589 0.001 1 522 77 77 SER HB2 H 3.653 0.001 2 523 77 77 SER C C 173.393 0.003 1 524 77 77 SER CA C 56.778 0.016 1 525 77 77 SER CB C 63.542 0.072 1 526 77 77 SER N N 120.822 0.036 1 527 78 78 LEU H H 8.786 0.003 1 528 78 78 LEU HA H 4.668 0.001 1 529 78 78 LEU HB2 H 1.255 0.001 2 530 78 78 LEU C C 175.346 0.01 1 531 78 78 LEU CA C 53.184 0.012 1 532 78 78 LEU CB C 45.302 0.012 1 533 78 78 LEU N N 125.799 0.053 1 534 79 79 LYS H H 8.644 0.003 1 535 79 79 LYS HA H 4.540 0.001 1 536 79 79 LYS HB2 H 1.528 0.001 2 537 79 79 LYS HB3 H 1.626 0.001 2 538 79 79 LYS C C 173.730 0.004 1 539 79 79 LYS CA C 54.640 0.036 1 540 79 79 LYS CB C 33.777 0.012 1 541 79 79 LYS N N 125.020 0.037 1 542 80 80 ASP H H 8.374 0.006 1 543 80 80 ASP HA H 3.806 0.001 1 544 80 80 ASP C C 173.808 0.022 1 545 80 80 ASP CA C 55.193 0.007 1 546 80 80 ASP CB C 39.722 0.036 1 547 80 80 ASP N N 126.432 0.033 1 548 81 81 VAL H H 8.641 0.003 1 549 81 81 VAL HA H 4.664 0.006 1 550 81 81 VAL HB H 1.713 0.007 1 551 81 81 VAL HG1 H 0.790 0.004 2 552 81 81 VAL CA C 57.963 0.025 1 553 81 81 VAL CB C 34.731 0.085 1 554 81 81 VAL CG1 C 23.420 0.034 2 555 81 81 VAL N N 117.041 0.03 1 556 82 82 PRO HA H 4.161 0.002 1 557 82 82 PRO HB2 H 3.132 0.001 2 558 82 82 PRO C C 180.371 0.001 1 559 82 82 PRO CA C 63.481 0.001 1 560 82 82 PRO CB C 33.544 0.001 1 561 83 83 TRP H H 8.600 0.007 1 562 83 83 TRP HA H 3.954 0.001 1 563 83 83 TRP HD1 H 7.623 0.001 1 564 83 83 TRP HE1 H 10.343 0.003 1 565 83 83 TRP HE3 H 7.151 0.001 1 566 83 83 TRP HZ2 H 7.457 0.001 1 567 83 83 TRP HZ3 H 7.119 0.001 1 568 83 83 TRP HH2 H 7.135 0.001 1 569 83 83 TRP C C 175.879 0.022 1 570 83 83 TRP CA C 60.633 0.011 1 571 83 83 TRP CB C 28.343 0.001 1 572 83 83 TRP CD1 C 127.258 0.001 1 573 83 83 TRP CE3 C 120.118 0.001 1 574 83 83 TRP CZ2 C 114.950 0.001 1 575 83 83 TRP CZ3 C 123.820 0.001 1 576 83 83 TRP CH2 C 124.799 0.001 1 577 83 83 TRP N N 123.714 0.051 1 578 83 83 TRP NE1 N 129.397 0.006 1 579 84 84 ASP H H 8.669 0.003 1 580 84 84 ASP HA H 3.557 0.001 1 581 84 84 ASP HB2 H 2.105 0.001 2 582 84 84 ASP C C 178.245 0.009 1 583 84 84 ASP CA C 55.627 0.001 1 584 84 84 ASP CB C 35.436 0.037 1 585 84 84 ASP N N 118.410 0.021 1 586 85 85 GLN H H 6.848 0.011 1 587 85 85 GLN HA H 4.687 0.001 1 588 85 85 GLN HB2 H 2.757 0.001 2 589 85 85 GLN C C 177.562 0.025 1 590 85 85 GLN CA C 57.770 0.043 1 591 85 85 GLN CB C 27.490 0.001 1 592 85 85 GLN N N 124.237 0.054 1 593 86 86 ALA H H 7.728 0.004 1 594 86 86 ALA HA H 3.727 0.001 1 595 86 86 ALA HB H 1.307 0.001 1 596 86 86 ALA C C 178.156 0.008 1 597 86 86 ALA CA C 55.083 0.035 1 598 86 86 ALA CB C 18.159 0.024 1 599 86 86 ALA N N 121.783 0.028 1 600 87 87 LEU H H 8.204 0.003 1 601 87 87 LEU HA H 3.742 0.006 1 602 87 87 LEU HB2 H 1.906 0.008 2 603 87 87 LEU HB3 H 1.454 0.001 2 604 87 87 LEU HD1 H 0.967 0.002 2 605 87 87 LEU C C 177.637 0.009 1 606 87 87 LEU CA C 57.918 0.04 1 607 87 87 LEU CB C 41.637 0.06 1 608 87 87 LEU CD1 C 26.034 0.001 2 609 87 87 LEU N N 116.188 0.049 1 610 88 88 ASP H H 7.211 0.004 1 611 88 88 ASP HA H 4.240 0.001 1 612 88 88 ASP HB2 H 2.598 0.001 2 613 88 88 ASP C C 177.670 0.001 1 614 88 88 ASP CA C 58.373 0.008 1 615 88 88 ASP CB C 42.709 0.026 1 616 88 88 ASP N N 118.772 0.038 1 617 89 89 LEU H H 7.925 0.005 1 618 89 89 LEU HA H 3.908 0.008 1 619 89 89 LEU HB2 H 1.431 0.006 2 620 89 89 LEU HB3 H 1.880 0.011 2 621 89 89 LEU HG H 1.723 0.006 1 622 89 89 LEU HD1 H 0.784 0.006 2 623 89 89 LEU C C 180.336 0.022 1 624 89 89 LEU CA C 58.452 0.045 1 625 89 89 LEU CB C 41.725 0.057 1 626 89 89 LEU CG C 26.836 0.017 1 627 89 89 LEU CD1 C 25.677 0.096 2 628 89 89 LEU N N 119.119 0.037 1 629 90 90 VAL H H 7.793 0.002 1 630 90 90 VAL HA H 3.302 0.015 1 631 90 90 VAL HB H 2.050 0.013 1 632 90 90 VAL HG1 H 0.630 0.002 2 633 90 90 VAL HG2 H 0.856 0.002 2 634 90 90 VAL C C 177.087 0.01 1 635 90 90 VAL CA C 66.717 0.063 1 636 90 90 VAL CB C 31.603 0.078 1 637 90 90 VAL CG1 C 20.858 0.033 2 638 90 90 VAL CG2 C 22.620 0.054 2 639 90 90 VAL N N 120.139 0.051 1 640 91 91 MET H H 8.281 0.004 1 641 91 91 MET HA H 3.727 0.001 1 642 91 91 MET C C 179.353 0.061 1 643 91 91 MET CA C 60.119 0.07 1 644 91 91 MET CB C 32.036 0.001 1 645 91 91 MET N N 116.137 0.042 1 646 92 92 GLN H H 8.644 0.001 1 647 92 92 GLN HA H 4.114 0.001 1 648 92 92 GLN HB2 H 2.003 0.001 2 649 92 92 GLN C C 179.263 0.001 1 650 92 92 GLN CA C 58.668 0.023 1 651 92 92 GLN CB C 28.735 0.057 1 652 92 92 GLN N N 117.351 0.05 1 653 93 93 ALA H H 7.807 0.003 1 654 93 93 ALA HA H 4.119 0.001 1 655 93 93 ALA HB H 1.472 0.001 1 656 93 93 ALA C C 179.293 0.009 1 657 93 93 ALA CA C 54.404 0.034 1 658 93 93 ALA CB C 18.648 0.07 1 659 93 93 ALA N N 120.193 0.03 1 660 94 94 ARG H H 7.230 0.003 1 661 94 94 ARG HA H 4.592 0.001 1 662 94 94 ARG C C 174.529 0.034 1 663 94 94 ARG CA C 51.906 0.023 1 664 94 94 ARG CB C 29.376 0.001 1 665 94 94 ARG N N 112.326 0.026 1 666 95 95 ASN H H 7.688 0.003 1 667 95 95 ASN HA H 4.440 0.001 1 668 95 95 ASN HB2 H 3.139 0.001 2 669 95 95 ASN HB3 H 2.660 0.001 2 670 95 95 ASN C C 174.327 0.004 1 671 95 95 ASN CA C 54.432 0.035 1 672 95 95 ASN CB C 36.904 0.046 1 673 95 95 ASN N N 118.202 0.035 1 674 96 96 LEU H H 8.588 0.004 1 675 96 96 LEU HA H 4.712 0.001 1 676 96 96 LEU HB2 H 1.704 0.001 2 677 96 96 LEU HB3 H 2.165 0.001 2 678 96 96 LEU C C 174.458 0.033 1 679 96 96 LEU CA C 52.953 0.043 1 680 96 96 LEU CB C 44.111 0.001 1 681 96 96 LEU N N 116.842 0.023 1 682 97 97 ASP H H 8.788 0.004 1 683 97 97 ASP HA H 4.888 0.001 1 684 97 97 ASP HB2 H 2.386 0.001 2 685 97 97 ASP HB3 H 2.478 0.001 2 686 97 97 ASP C C 172.954 0.04 1 687 97 97 ASP CA C 52.320 0.035 1 688 97 97 ASP CB C 45.199 0.046 1 689 97 97 ASP N N 119.318 0.027 1 690 98 98 MET H H 8.714 0.004 1 691 98 98 MET HA H 5.695 0.001 1 692 98 98 MET HB2 H 1.828 0.001 2 693 98 98 MET HB3 H 1.970 0.001 2 694 98 98 MET C C 175.928 0.012 1 695 98 98 MET CA C 53.232 0.046 1 696 98 98 MET CB C 37.376 0.034 1 697 98 98 MET N N 115.778 0.038 1 698 99 99 ARG H H 8.707 0.005 1 699 99 99 ARG HA H 4.557 0.001 1 700 99 99 ARG HB2 H 1.662 0.001 2 701 99 99 ARG C C 174.712 0.027 1 702 99 99 ARG CA C 54.360 0.036 1 703 99 99 ARG CB C 33.376 0.001 1 704 99 99 ARG N N 121.447 0.041 1 705 100 100 GLN H H 9.008 0.003 1 706 100 100 GLN HA H 4.982 0.001 1 707 100 100 GLN HB2 H 1.864 0.001 2 708 100 100 GLN HB3 H 1.961 0.001 2 709 100 100 GLN C C 175.059 0.01 1 710 100 100 GLN CA C 55.031 0.056 1 711 100 100 GLN CB C 29.898 0.022 1 712 100 100 GLN N N 125.780 0.025 1 713 101 101 GLN H H 8.843 0.002 1 714 101 101 GLN HA H 4.485 0.001 1 715 101 101 GLN HB2 H 1.828 0.001 2 716 101 101 GLN HB3 H 1.933 0.001 2 717 101 101 GLN C C 175.690 0.009 1 718 101 101 GLN CA C 54.748 0.068 1 719 101 101 GLN CB C 30.261 0.01 1 720 101 101 GLN N N 127.631 0.022 1 721 102 102 GLY H H 9.047 0.007 1 722 102 102 GLY HA2 H 3.600 0.001 2 723 102 102 GLY HA3 H 3.923 0.001 2 724 102 102 GLY C C 174.350 0.006 1 725 102 102 GLY CA C 47.237 0.052 1 726 102 102 GLY N N 117.047 0.039 1 727 103 103 ASN H H 8.758 0.005 1 728 103 103 ASN HA H 4.735 0.001 1 729 103 103 ASN HB2 H 2.839 0.001 2 730 103 103 ASN HB3 H 2.798 0.001 2 731 103 103 ASN C C 173.911 0.012 1 732 103 103 ASN CA C 53.010 0.014 1 733 103 103 ASN CB C 38.514 0.011 1 734 103 103 ASN N N 124.994 0.05 1 735 104 104 ILE H H 7.880 0.002 1 736 104 104 ILE HA H 4.495 0.009 1 737 104 104 ILE HB H 1.966 0.01 1 738 104 104 ILE HG12 H 1.049 0.005 2 739 104 104 ILE HG13 H 1.555 0.014 2 740 104 104 ILE HG2 H 0.733 0.003 1 741 104 104 ILE HD1 H 0.789 0.003 1 742 104 104 ILE C C 174.766 0.009 1 743 104 104 ILE CA C 60.575 0.079 1 744 104 104 ILE CB C 39.644 0.076 1 745 104 104 ILE CG1 C 27.915 0.041 1 746 104 104 ILE CG2 C 17.593 0.022 1 747 104 104 ILE CD1 C 13.080 0.029 1 748 104 104 ILE N N 120.101 0.022 1 749 105 105 VAL H H 8.549 0.004 1 750 105 105 VAL HA H 4.255 0.014 1 751 105 105 VAL HB H 1.881 0.002 1 752 105 105 VAL HG1 H 0.778 0.004 2 753 105 105 VAL C C 173.992 0.017 1 754 105 105 VAL CA C 61.314 0.075 1 755 105 105 VAL CB C 32.991 0.001 1 756 105 105 VAL CG1 C 20.920 0.001 2 757 105 105 VAL N N 127.009 0.033 1 758 106 106 ASN H H 8.715 0.005 1 759 106 106 ASN HA H 5.324 0.001 1 760 106 106 ASN HB2 H 2.530 0.001 2 761 106 106 ASN C C 174.493 0.024 1 762 106 106 ASN CA C 52.907 0.014 1 763 106 106 ASN CB C 40.922 0.02 1 764 106 106 ASN N N 126.133 0.028 1 765 107 107 ILE H H 8.528 0.004 1 766 107 107 ILE HA H 5.031 0.014 1 767 107 107 ILE HB H 1.507 0.009 1 768 107 107 ILE HG12 H 1.177 0.004 2 769 107 107 ILE HG13 H 1.353 0.014 2 770 107 107 ILE HG2 H 0.757 0.004 1 771 107 107 ILE HD1 H 0.712 0.001 1 772 107 107 ILE C C 173.805 0.025 1 773 107 107 ILE CA C 59.041 0.082 1 774 107 107 ILE CB C 39.582 0.088 1 775 107 107 ILE CG1 C 27.801 0.06 1 776 107 107 ILE CG2 C 18.664 0.06 1 777 107 107 ILE CD1 C 13.650 0.016 1 778 107 107 ILE N N 123.227 0.058 1 779 108 108 ALA H H 8.399 0.003 1 780 108 108 ALA HA H 4.573 0.001 1 781 108 108 ALA HB H 1.248 0.001 1 782 108 108 ALA C C 172.793 0.005 1 783 108 108 ALA CA C 50.126 0.001 1 784 108 108 ALA CB C 20.356 0.001 1 785 108 108 ALA N N 128.526 0.043 1 786 109 109 PRO HA H 4.446 0.001 1 787 109 109 PRO HB2 H 2.557 0.001 2 788 109 109 PRO C C 177.145 0.001 1 789 109 109 PRO CA C 63.661 0.001 1 790 109 109 PRO CB C 32.307 0.001 1 791 110 110 ARG H H 8.659 0.002 1 792 110 110 ARG HA H 3.757 0.001 1 793 110 110 ARG HB2 H 1.632 0.001 2 794 110 110 ARG C C 177.663 0.007 1 795 110 110 ARG CA C 60.006 0.001 1 796 110 110 ARG CB C 30.309 0.058 1 797 110 110 ARG N N 124.465 0.047 1 798 111 111 ASP H H 8.803 0.003 1 799 111 111 ASP HA H 4.321 0.001 1 800 111 111 ASP HB2 H 2.627 0.001 2 801 111 111 ASP HB3 H 2.539 0.001 2 802 111 111 ASP C C 177.925 0.009 1 803 111 111 ASP CA C 56.359 0.03 1 804 111 111 ASP CB C 39.871 0.028 1 805 111 111 ASP N N 116.980 0.026 1 806 112 112 GLU H H 7.459 0.004 1 807 112 112 GLU HA H 4.064 0.001 1 808 112 112 GLU HB2 H 1.988 0.001 2 809 112 112 GLU C C 178.175 0.034 1 810 112 112 GLU CA C 58.192 0.034 1 811 112 112 GLU CB C 30.233 0.001 1 812 112 112 GLU N N 120.974 0.032 1 813 113 113 LEU H H 7.542 0.003 1 814 113 113 LEU HA H 4.028 0.004 1 815 113 113 LEU HB2 H 1.642 0.006 2 816 113 113 LEU HB3 H 1.336 0.002 2 817 113 113 LEU HD1 H 0.664 0.013 2 818 113 113 LEU C C 178.341 0.055 1 819 113 113 LEU CA C 56.678 0.015 1 820 113 113 LEU CB C 41.275 0.049 1 821 113 113 LEU CD1 C 25.783 0.1 2 822 113 113 LEU N N 119.470 0.018 1 823 114 114 LEU H H 7.854 0.001 1 824 114 114 LEU HA H 4.113 0.0 1 825 114 114 LEU HB2 H 1.483 0.001 2 826 114 114 LEU HB3 H 1.629 0.002 2 827 114 114 LEU HD1 H 0.847 0.009 2 828 114 114 LEU C C 178.490 0.023 1 829 114 114 LEU CA C 56.668 0.001 1 830 114 114 LEU CB C 41.824 0.001 1 831 114 114 LEU CD1 C 24.910 0.053 2 832 114 114 LEU N N 120.027 0.044 1 833 115 115 ALA H H 7.614 0.003 1 834 115 115 ALA HA H 4.085 0.001 1 835 115 115 ALA HB H 1.380 0.001 1 836 115 115 ALA C C 179.456 0.008 1 837 115 115 ALA CA C 53.956 0.012 1 838 115 115 ALA CB C 18.193 0.002 1 839 115 115 ALA N N 121.532 0.024 1 840 116 116 LYS H H 7.792 0.002 1 841 116 116 LYS HA H 4.088 0.001 1 842 116 116 LYS HB2 H 1.807 0.001 2 843 116 116 LYS C C 177.612 0.049 1 844 116 116 LYS CA C 57.841 0.015 1 845 116 116 LYS CB C 32.499 0.015 1 846 116 116 LYS N N 119.347 0.024 1 847 117 117 ASP H H 8.015 0.002 1 848 117 117 ASP HA H 4.450 0.001 1 849 117 117 ASP HB2 H 2.650 0.001 2 850 117 117 ASP C C 177.504 0.001 1 851 117 117 ASP CA C 55.782 0.021 1 852 117 117 ASP CB C 40.698 0.052 1 853 117 117 ASP N N 120.397 0.024 1 854 118 118 LYS H H 7.888 0.002 1 855 118 118 LYS HA H 4.073 0.001 1 856 118 118 LYS HB2 H 1.767 0.001 2 857 118 118 LYS C C 177.376 0.01 1 858 118 118 LYS CA C 57.656 0.004 1 859 118 118 LYS CB C 32.445 0.004 1 860 118 118 LYS N N 119.885 0.035 1 861 119 119 ALA H H 7.929 0.002 1 862 119 119 ALA HA H 4.128 0.001 1 863 119 119 ALA HB H 1.289 0.001 1 864 119 119 ALA C C 178.603 0.009 1 865 119 119 ALA CA C 53.556 0.001 1 866 119 119 ALA CB C 18.512 0.039 1 867 119 119 ALA N N 122.674 0.012 1 868 120 120 PHE H H 7.944 0.002 1 869 120 120 PHE HA H 4.435 0.005 1 870 120 120 PHE HB2 H 3.078 0.019 2 871 120 120 PHE HB3 H 3.121 0.018 2 872 120 120 PHE C C 176.331 0.006 1 873 120 120 PHE CA C 58.710 0.039 1 874 120 120 PHE CB C 39.040 0.012 1 875 120 120 PHE N N 118.697 0.009 1 876 121 121 LEU H H 7.872 0.002 1 877 121 121 LEU HA H 4.135 0.003 1 878 121 121 LEU HB2 H 1.491 0.003 2 879 121 121 LEU HB3 H 1.630 0.007 2 880 121 121 LEU HD2 H 0.850 0.001 2 881 121 121 LEU C C 177.796 0.005 1 882 121 121 LEU CA C 55.850 0.011 1 883 121 121 LEU CB C 42.051 0.029 1 884 121 121 LEU CD2 C 24.843 0.001 2 885 121 121 LEU N N 121.714 0.011 1 886 122 122 GLN H H 8.054 0.002 1 887 122 122 GLN HA H 4.106 0.001 1 888 122 122 GLN HB2 H 1.976 0.001 2 889 122 122 GLN HB3 H 2.028 0.001 2 890 122 122 GLN C C 176.013 0.005 1 891 122 122 GLN CA C 56.427 0.045 1 892 122 122 GLN CB C 28.987 0.019 1 893 122 122 GLN N N 120.089 0.033 1 894 123 123 ALA H H 8.046 0.002 1 895 123 123 ALA HA H 4.191 0.001 1 896 123 123 ALA HB H 1.336 0.001 1 897 123 123 ALA C C 178.343 0.006 1 898 123 123 ALA CA C 53.175 0.059 1 899 123 123 ALA CB C 18.884 0.02 1 900 123 123 ALA N N 123.904 0.01 1 901 124 124 GLU H H 8.141 0.002 1 902 124 124 GLU HA H 4.081 0.001 1 903 124 124 GLU HB2 H 1.881 0.001 2 904 124 124 GLU HB3 H 1.964 0.001 2 905 124 124 GLU C C 177.167 0.006 1 906 124 124 GLU CA C 57.279 0.001 1 907 124 124 GLU CB C 29.889 0.019 1 908 124 124 GLU N N 119.285 0.039 1 909 125 125 LYS H H 8.039 0.003 1 910 125 125 LYS HA H 4.161 0.001 1 911 125 125 LYS C C 176.619 0.008 1 912 125 125 LYS CA C 56.983 0.073 1 913 125 125 LYS CB C 32.831 0.006 1 914 125 125 LYS N N 121.054 0.013 1 915 126 126 ASP H H 8.231 0.002 1 916 126 126 ASP HA H 4.504 0.001 1 917 126 126 ASP HB2 H 2.569 0.001 2 918 126 126 ASP HB3 H 2.659 0.001 2 919 126 126 ASP C C 176.799 0.001 1 920 126 126 ASP CA C 54.917 0.029 1 921 126 126 ASP CB C 40.938 0.005 1 922 126 126 ASP N N 120.668 0.007 1 923 127 127 ILE H H 7.844 0.002 1 924 127 127 ILE HA H 4.023 0.007 1 925 127 127 ILE HB H 1.857 0.005 1 926 127 127 ILE HG12 H 1.132 0.003 2 927 127 127 ILE HG13 H 1.426 0.004 2 928 127 127 ILE HG2 H 0.858 0.0 1 929 127 127 ILE HD1 H 0.797 0.0 1 930 127 127 ILE C C 176.600 0.011 1 931 127 127 ILE CA C 61.783 0.057 1 932 127 127 ILE CB C 38.418 0.058 1 933 127 127 ILE CG1 C 27.560 0.029 1 934 127 127 ILE CG2 C 17.527 0.001 1 935 127 127 ILE CD1 C 13.155 0.001 1 936 127 127 ILE N N 120.256 0.015 1 937 128 128 ALA H H 8.148 0.001 1 938 128 128 ALA HA H 4.198 0.001 1 939 128 128 ALA HB H 1.316 0.001 1 940 128 128 ALA C C 177.831 0.019 1 941 128 128 ALA CA C 53.101 0.027 1 942 128 128 ALA CB C 18.970 0.002 1 943 128 128 ALA N N 126.370 0.012 1 944 129 129 ASP H H 8.145 0.002 1 945 129 129 ASP HA H 4.507 0.001 1 946 129 129 ASP HB2 H 2.961 0.001 2 947 129 129 ASP HB3 H 3.102 0.001 2 948 129 129 ASP C C 176.769 0.012 1 949 129 129 ASP CA C 54.427 0.001 1 950 129 129 ASP CB C 41.137 0.001 1 951 129 129 ASP N N 118.739 0.01 1 952 130 130 LEU H H 8.127 0.004 1 953 130 130 LEU HA H 4.269 0.001 1 954 130 130 LEU HB2 H 1.584 0.001 2 955 130 130 LEU HB3 H 1.677 0.001 2 956 130 130 LEU C C 178.201 0.021 1 957 130 130 LEU CA C 55.635 0.001 1 958 130 130 LEU CB C 41.854 0.001 1 959 130 130 LEU N N 122.599 0.041 1 960 131 131 GLY H H 8.320 0.002 1 961 131 131 GLY HA2 H 3.901 0.001 2 962 131 131 GLY C C 173.419 0.01 1 963 131 131 GLY CA C 44.991 0.032 1 964 131 131 GLY N N 108.192 0.046 1 965 132 132 ALA H H 7.806 0.003 1 966 132 132 ALA HA H 4.110 0.001 1 967 132 132 ALA HB H 1.225 0.001 1 968 132 132 ALA C C 176.331 0.063 1 969 132 132 ALA CA C 52.174 0.004 1 970 132 132 ALA CB C 19.302 0.029 1 971 132 132 ALA N N 123.037 0.022 1 972 133 133 LEU H H 7.894 0.004 1 973 133 133 LEU HA H 4.407 0.001 1 974 133 133 LEU C C 176.180 0.001 1 975 133 133 LEU CA C 53.594 0.022 1 976 133 133 LEU CB C 39.285 0.001 1 977 133 133 LEU N N 118.176 0.04 1 978 134 134 TYR H H 8.909 0.007 1 979 134 134 TYR C C 176.250 0.001 1 980 134 134 TYR CA C 56.763 0.001 1 981 134 134 TYR CB C 35.266 0.001 1 982 134 134 TYR N N 122.623 0.043 1 983 138 138 PHE C C 173.539 0.001 1 984 138 138 PHE CA C 57.148 0.001 1 985 138 138 PHE CB C 40.790 0.001 1 986 139 139 GLN H H 8.822 0.004 1 987 139 139 GLN HA H 4.662 0.001 1 988 139 139 GLN C C 175.451 0.013 1 989 139 139 GLN CA C 55.183 0.023 1 990 139 139 GLN CB C 29.419 0.002 1 991 139 139 GLN N N 125.578 0.05 1 992 140 140 LEU H H 8.206 0.006 1 993 140 140 LEU HA H 4.438 0.008 1 994 140 140 LEU HB2 H 1.730 0.008 2 995 140 140 LEU HB3 H 1.528 0.001 2 996 140 140 LEU HG H 1.467 0.002 1 997 140 140 LEU HD1 H 0.508 0.002 2 998 140 140 LEU C C 177.413 0.017 1 999 140 140 LEU CA C 55.195 0.02 1 1000 140 140 LEU CB C 41.173 0.074 1 1001 140 140 LEU CG C 28.567 0.038 1 1002 140 140 LEU CD1 C 24.288 0.022 2 1003 140 140 LEU N N 129.761 0.034 1 1004 141 141 LYS H H 11.381 0.006 1 1005 141 141 LYS HA H 3.995 0.001 1 1006 141 141 LYS C C 177.397 0.001 1 1007 141 141 LYS CA C 57.769 0.053 1 1008 141 141 LYS CB C 34.436 0.001 1 1009 141 141 LYS N N 127.345 0.048 1 1010 142 142 TYR H H 10.401 0.005 1 1011 142 142 TYR HA H 4.516 0.001 1 1012 142 142 TYR C C 176.398 0.001 1 1013 142 142 TYR CA C 58.623 0.001 1 1014 142 142 TYR N N 119.966 0.04 1 1015 143 143 LYS H H 7.798 0.014 1 1016 143 143 LYS HA H 4.446 0.001 1 1017 143 143 LYS HB2 H 1.702 0.001 2 1018 143 143 LYS C C 174.657 0.021 1 1019 143 143 LYS CA C 54.013 0.011 1 1020 143 143 LYS CB C 34.733 0.047 1 1021 143 143 LYS N N 120.339 0.05 1 1022 144 144 ASN H H 8.759 0.003 1 1023 144 144 ASN HA H 4.856 0.001 1 1024 144 144 ASN HB2 H 2.873 0.001 2 1025 144 144 ASN C C 177.813 0.006 1 1026 144 144 ASN CA C 52.877 0.012 1 1027 144 144 ASN CB C 39.815 0.065 1 1028 144 144 ASN N N 121.256 0.05 1 1029 145 145 VAL H H 9.060 0.005 1 1030 145 145 VAL HA H 3.808 0.01 1 1031 145 145 VAL HB H 1.876 0.004 1 1032 145 145 VAL HG1 H 0.837 0.002 2 1033 145 145 VAL HG2 H 0.916 0.005 2 1034 145 145 VAL C C 176.579 0.006 1 1035 145 145 VAL CA C 65.095 0.038 1 1036 145 145 VAL CB C 31.378 0.026 1 1037 145 145 VAL CG1 C 21.578 0.001 2 1038 145 145 VAL CG2 C 20.424 0.019 2 1039 145 145 VAL N N 123.726 0.052 1 1040 146 146 GLU H H 8.681 0.004 1 1041 146 146 GLU HA H 3.413 0.001 1 1042 146 146 GLU HB2 H 1.978 0.001 2 1043 146 146 GLU C C 179.558 0.009 1 1044 146 146 GLU CA C 59.389 0.017 1 1045 146 146 GLU CB C 29.000 0.001 1 1046 146 146 GLU N N 120.943 0.033 1 1047 147 147 GLU H H 8.019 0.006 1 1048 147 147 GLU HA H 4.087 0.001 1 1049 147 147 GLU HB2 H 2.005 0.001 2 1050 147 147 GLU HB3 H 2.088 0.001 2 1051 147 147 GLU C C 178.658 0.012 1 1052 147 147 GLU CA C 58.811 0.001 1 1053 147 147 GLU CB C 29.447 0.018 1 1054 147 147 GLU N N 118.901 0.05 1 1055 148 148 PHE H H 8.192 0.002 1 1056 148 148 PHE HA H 4.070 0.008 1 1057 148 148 PHE HB2 H 2.950 0.002 2 1058 148 148 PHE HB3 H 3.080 0.001 2 1059 148 148 PHE C C 176.546 0.009 1 1060 148 148 PHE CA C 60.648 0.065 1 1061 148 148 PHE CB C 38.814 0.025 1 1062 148 148 PHE N N 116.980 0.024 1 1063 149 149 ARG H H 7.872 0.004 1 1064 149 149 ARG HA H 3.753 0.001 1 1065 149 149 ARG HB2 H 1.885 0.001 2 1066 149 149 ARG C C 178.012 0.011 1 1067 149 149 ARG CA C 60.556 0.015 1 1068 149 149 ARG CB C 29.630 0.058 1 1069 149 149 ARG N N 119.279 0.056 1 1070 150 150 SER H H 7.698 0.004 1 1071 150 150 SER HA H 4.272 0.001 1 1072 150 150 SER HB2 H 3.877 0.001 2 1073 150 150 SER C C 177.099 0.001 1 1074 150 150 SER CA C 60.720 0.065 1 1075 150 150 SER CB C 62.740 0.051 1 1076 150 150 SER N N 112.012 0.021 1 1077 151 151 ILE H H 7.488 0.002 1 1078 151 151 ILE HA H 3.774 0.008 1 1079 151 151 ILE HB H 1.577 0.012 1 1080 151 151 ILE HG12 H 0.994 0.002 2 1081 151 151 ILE HG13 H 1.471 0.01 2 1082 151 151 ILE HG2 H 0.718 0.004 1 1083 151 151 ILE HD1 H 0.391 0.002 1 1084 151 151 ILE C C 177.001 0.018 1 1085 151 151 ILE CA C 64.060 0.045 1 1086 151 151 ILE CB C 38.608 0.092 1 1087 151 151 ILE CG1 C 28.276 0.038 1 1088 151 151 ILE CG2 C 16.977 0.036 1 1089 151 151 ILE CD1 C 13.136 0.02 1 1090 151 151 ILE N N 121.300 0.039 1 1091 152 152 LEU H H 7.559 0.006 1 1092 152 152 LEU HA H 4.164 0.001 1 1093 152 152 LEU HB2 H 1.580 0.001 2 1094 152 152 LEU HB3 H 1.672 0.001 2 1095 152 152 LEU C C 175.776 0.001 1 1096 152 152 LEU CA C 54.699 0.006 1 1097 152 152 LEU CB C 41.550 0.012 1 1098 152 152 LEU N N 116.449 0.074 1 1099 153 153 ARG H H 7.562 0.004 1 1100 153 153 ARG HA H 4.089 0.001 1 1101 153 153 ARG HB2 H 1.892 0.001 2 1102 153 153 ARG C C 176.354 0.009 1 1103 153 153 ARG CA C 56.554 0.008 1 1104 153 153 ARG CB C 27.979 0.001 1 1105 153 153 ARG N N 116.352 0.045 1 1106 154 154 LEU H H 8.062 0.004 1 1107 154 154 LEU HA H 4.245 0.001 1 1108 154 154 LEU HB2 H 1.575 0.001 2 1109 154 154 LEU C C 177.302 0.009 1 1110 154 154 LEU CA C 55.371 0.031 1 1111 154 154 LEU CB C 41.881 0.018 1 1112 154 154 LEU N N 118.915 0.021 1 1113 155 155 ASP H H 8.309 0.001 1 1114 155 155 ASP HA H 4.508 0.001 1 1115 155 155 ASP HB2 H 2.583 0.001 2 1116 155 155 ASP C C 175.886 0.005 1 1117 155 155 ASP CA C 54.105 0.006 1 1118 155 155 ASP CB C 41.035 0.007 1 1119 155 155 ASP N N 118.822 0.009 1 1120 156 156 ASN H H 8.085 0.001 1 1121 156 156 ASN HA H 4.587 0.001 1 1122 156 156 ASN HB2 H 2.678 0.001 2 1123 156 156 ASN HB3 H 2.779 0.001 2 1124 156 156 ASN C C 174.957 0.004 1 1125 156 156 ASN CA C 53.479 0.017 1 1126 156 156 ASN CB C 38.890 0.018 1 1127 156 156 ASN N N 118.574 0.01 1 1128 157 157 ALA H H 8.226 0.003 1 1129 157 157 ALA HA H 4.245 0.001 1 1130 157 157 ALA HB H 1.331 0.001 1 1131 157 157 ALA C C 177.458 0.029 1 1132 157 157 ALA CA C 52.822 0.001 1 1133 157 157 ALA CB C 19.098 0.001 1 1134 157 157 ALA N N 123.737 0.039 1 1135 158 158 ASP H H 8.147 0.004 1 1136 158 158 ASP HA H 4.612 0.001 1 1137 158 158 ASP HB2 H 2.656 0.001 2 1138 158 158 ASP HB3 H 2.716 0.001 2 1139 158 158 ASP C C 176.925 0.005 1 1140 158 158 ASP CA C 54.205 0.001 1 1141 158 158 ASP CB C 41.130 0.001 1 1142 158 158 ASP N N 118.751 0.016 1 1143 159 159 THR H H 8.120 0.007 1 1144 159 159 THR HA H 4.329 0.001 1 1145 159 159 THR HB H 4.335 0.002 1 1146 159 159 THR HG2 H 1.161 0.011 1 1147 159 159 THR C C 175.398 0.022 1 1148 159 159 THR CA C 62.165 0.026 1 1149 159 159 THR CB C 69.460 0.178 1 1150 159 159 THR CG2 C 21.500 0.016 1 1151 159 159 THR N N 113.704 0.031 1 1152 160 160 THR H H 8.154 0.002 1 1153 160 160 THR HA H 4.262 0.001 1 1154 160 160 THR HB H 4.197 0.007 1 1155 160 160 THR HG2 H 1.178 0.001 1 1156 160 160 THR C C 175.432 0.001 1 1157 160 160 THR CA C 62.514 0.043 1 1158 160 160 THR CB C 69.785 0.009 1 1159 160 160 THR CG2 C 24.683 0.001 1 1160 160 160 THR N N 114.474 0.026 1 1161 161 161 GLY H H 8.273 0.002 1 1162 161 161 GLY HA2 H 3.845 0.001 2 1163 161 161 GLY HA3 H 3.941 0.001 2 1164 161 161 GLY C C 173.918 0.011 1 1165 161 161 GLY CA C 45.420 0.014 1 1166 161 161 GLY N N 110.504 0.092 1 1167 162 162 ASN H H 8.202 0.002 1 1168 162 162 ASN HA H 4.624 0.001 1 1169 162 162 ASN HB2 H 2.674 0.001 2 1170 162 162 ASN HB3 H 2.750 0.001 2 1171 162 162 ASN C C 175.201 0.006 1 1172 162 162 ASN CA C 53.220 0.013 1 1173 162 162 ASN CB C 38.782 0.007 1 1174 162 162 ASN N N 118.666 0.009 1 1175 163 163 ARG H H 8.298 0.002 1 1176 163 163 ARG HA H 4.254 0.001 1 1177 163 163 ARG HB2 H 1.693 0.001 2 1178 163 163 ARG HB3 H 1.787 0.001 2 1179 163 163 ARG C C 175.914 0.004 1 1180 163 163 ARG CA C 56.223 0.006 1 1181 163 163 ARG CB C 30.555 0.02 1 1182 163 163 ARG N N 120.988 0.016 1 1183 164 164 ASN H H 8.403 0.002 1 1184 164 164 ASN HA H 4.309 0.001 1 1185 164 164 ASN HB2 H 2.702 0.001 2 1186 164 164 ASN HB3 H 2.815 0.001 2 1187 164 164 ASN C C 175.099 0.009 1 1188 164 164 ASN CA C 53.257 0.0 1 1189 164 164 ASN CB C 38.924 0.016 1 1190 164 164 ASN N N 119.458 0.017 1 1191 165 165 THR H H 8.034 0.002 1 1192 165 165 THR HA H 4.300 0.001 1 1193 165 165 THR HB H 4.226 0.001 1 1194 165 165 THR C C 174.303 0.003 1 1195 165 165 THR CA C 61.650 0.037 1 1196 165 165 THR CB C 69.465 0.067 1 1197 165 165 THR N N 113.895 0.01 1 1198 166 166 LEU H H 8.359 0.003 1 1199 166 166 LEU HA H 4.125 0.01 1 1200 166 166 LEU HB2 H 1.516 0.004 2 1201 166 166 LEU HD1 H 0.839 0.0 2 1202 166 166 LEU C C 176.663 0.029 1 1203 166 166 LEU CA C 56.655 0.012 1 1204 166 166 LEU CB C 43.296 0.03 1 1205 166 166 LEU CD1 C 24.680 0.001 2 1206 166 166 LEU N N 123.530 0.019 1 1207 167 167 VAL H H 7.374 0.005 1 1208 167 167 VAL HA H 4.339 0.001 1 1209 167 167 VAL C C 178.730 0.001 1 1210 167 167 VAL CA C 61.120 0.001 1 1211 167 167 VAL N N 113.029 0.057 1 1212 169 169 GLY HA2 H 4.338 0.001 2 1213 169 169 GLY C C 174.591 0.001 1 1214 169 169 GLY CA C 46.314 0.001 1 1215 170 170 ARG H H 8.017 0.004 1 1216 170 170 ARG HA H 4.408 0.001 1 1217 170 170 ARG C C 176.259 0.011 1 1218 170 170 ARG CA C 55.748 0.02 1 1219 170 170 ARG CB C 32.031 0.001 1 1220 170 170 ARG N N 118.100 0.038 1 1221 171 171 GLY H H 7.935 0.007 1 1222 171 171 GLY HA2 H 4.426 0.001 2 1223 171 171 GLY C C 173.597 0.001 1 1224 171 171 GLY CA C 44.604 0.028 1 1225 171 171 GLY N N 108.859 0.037 1 1226 172 172 SER H H 8.945 0.004 1 1227 172 172 SER HA H 4.702 0.001 1 1228 172 172 SER C C 172.662 0.015 1 1229 172 172 SER CA C 57.685 0.001 1 1230 172 172 SER CB C 65.887 0.006 1 1231 172 172 SER N N 113.239 0.054 1 1232 173 173 VAL H H 8.360 0.008 1 1233 173 173 VAL HA H 4.771 0.008 1 1234 173 173 VAL HB H 1.880 0.013 1 1235 173 173 VAL HG1 H 0.698 0.003 2 1236 173 173 VAL HG2 H 0.827 0.01 2 1237 173 173 VAL C C 173.940 0.028 1 1238 173 173 VAL CA C 60.948 0.061 1 1239 173 173 VAL CB C 34.489 0.031 1 1240 173 173 VAL CG1 C 21.694 0.019 2 1241 173 173 VAL CG2 C 21.983 0.084 2 1242 173 173 VAL N N 119.997 0.049 1 1243 174 174 LEU H H 8.872 0.006 1 1244 174 174 LEU HA H 4.719 0.011 1 1245 174 174 LEU HB2 H 1.546 0.001 2 1246 174 174 LEU HB3 H 1.489 0.001 2 1247 174 174 LEU HD1 H 0.806 0.0 2 1248 174 174 LEU C C 175.292 0.001 1 1249 174 174 LEU CA C 53.348 0.088 1 1250 174 174 LEU CB C 45.090 0.026 1 1251 174 174 LEU N N 128.392 0.044 1 1252 177 177 PRO HA H 4.199 0.001 1 1253 177 177 PRO C C 178.497 0.001 1 1254 177 177 PRO CA C 64.286 0.001 1 1255 177 177 PRO CB C 32.255 0.001 1 1256 178 178 ALA H H 8.023 0.003 1 1257 178 178 ALA HA H 4.135 0.001 1 1258 178 178 ALA C C 179.371 0.007 1 1259 178 178 ALA CA C 55.160 0.03 1 1260 178 178 ALA CB C 18.454 0.027 1 1261 178 178 ALA N N 119.588 0.046 1 1262 179 179 THR H H 6.876 0.004 1 1263 179 179 THR HA H 4.432 0.009 1 1264 179 179 THR HB H 4.342 0.005 1 1265 179 179 THR HG2 H 1.075 0.003 1 1266 179 179 THR C C 175.175 0.013 1 1267 179 179 THR CA C 60.370 0.037 1 1268 179 179 THR CB C 70.103 0.121 1 1269 179 179 THR CG2 C 20.707 0.001 1 1270 179 179 THR N N 103.060 0.048 1 1271 180 180 ASN H H 7.980 0.004 1 1272 180 180 ASN C C 172.875 0.012 1 1273 180 180 ASN CA C 54.577 0.011 1 1274 180 180 ASN CB C 39.280 0.001 1 1275 180 180 ASN N N 124.915 0.04 1 1276 181 181 THR H H 7.637 0.009 1 1277 181 181 THR HA H 5.128 0.014 1 1278 181 181 THR HB H 3.758 0.002 1 1279 181 181 THR C C 172.426 0.009 1 1280 181 181 THR CA C 61.682 0.054 1 1281 181 181 THR CB C 72.078 0.125 1 1282 181 181 THR N N 111.062 0.035 1 1283 182 182 LEU H H 8.787 0.003 1 1284 182 182 LEU HA H 4.912 0.005 1 1285 182 182 LEU HB2 H 1.435 0.001 2 1286 182 182 LEU HB3 H 1.354 0.011 2 1287 182 182 LEU HD1 H 0.450 0.002 2 1288 182 182 LEU C C 174.740 0.079 1 1289 182 182 LEU CA C 53.357 0.026 1 1290 182 182 LEU CB C 45.475 0.044 1 1291 182 182 LEU CD1 C 25.844 0.031 2 1292 182 182 LEU N N 126.223 0.045 1 1293 183 183 ILE H H 9.202 0.007 1 1294 183 183 ILE HA H 4.671 0.015 1 1295 183 183 ILE HB H 1.678 0.003 1 1296 183 183 ILE HG12 H 1.283 0.004 2 1297 183 183 ILE HG13 H 0.867 0.004 2 1298 183 183 ILE HG2 H 0.598 0.002 1 1299 183 183 ILE HD1 H 0.690 0.002 1 1300 183 183 ILE C C 176.030 0.039 1 1301 183 183 ILE CA C 61.217 0.053 1 1302 183 183 ILE CB C 39.316 0.026 1 1303 183 183 ILE CG1 C 27.885 0.001 1 1304 183 183 ILE CG2 C 17.352 0.023 1 1305 183 183 ILE CD1 C 14.437 0.018 1 1306 183 183 ILE N N 125.710 0.049 1 1307 184 184 VAL H H 8.621 0.005 1 1308 184 184 VAL HA H 4.381 0.005 1 1309 184 184 VAL HB H 1.775 0.002 1 1310 184 184 VAL HG1 H 0.236 0.001 2 1311 184 184 VAL HG2 H 0.542 0.002 2 1312 184 184 VAL C C 174.071 0.018 1 1313 184 184 VAL CA C 61.297 0.094 1 1314 184 184 VAL CB C 33.957 0.024 1 1315 184 184 VAL CG1 C 20.573 0.015 2 1316 184 184 VAL CG2 C 21.203 0.045 2 1317 184 184 VAL N N 130.107 0.019 1 1318 185 185 THR H H 8.685 0.003 1 1319 185 185 THR HA H 5.537 0.008 1 1320 185 185 THR HB H 3.976 0.003 1 1321 185 185 THR C C 173.578 0.001 1 1322 185 185 THR CA C 60.817 0.073 1 1323 185 185 THR CB C 69.551 0.002 1 1324 185 185 THR N N 124.689 0.045 1 1325 186 186 ASP H H 9.081 0.005 1 1326 186 186 ASP HA H 4.531 0.001 1 1327 186 186 ASP C C 174.989 0.041 1 1328 186 186 ASP CA C 53.870 0.06 1 1329 186 186 ASP CB C 43.576 0.064 1 1330 186 186 ASP N N 124.389 0.023 1 1331 187 187 THR H H 10.511 0.003 1 1332 187 187 THR HA H 4.719 0.001 1 1333 187 187 THR C C 175.621 0.0 1 1334 187 187 THR CA C 61.488 0.001 1 1335 187 187 THR CB C 68.838 0.001 1 1336 187 187 THR N N 112.513 0.055 1 1337 188 188 ARG H H 9.307 0.003 1 1338 188 188 ARG C C 178.814 0.001 1 1339 188 188 ARG CA C 59.839 0.001 1 1340 188 188 ARG CB C 29.252 0.001 1 1341 188 188 ARG N N 120.017 0.055 1 1342 189 189 SER H H 8.427 0.002 1 1343 189 189 SER HA H 4.135 0.001 1 1344 189 189 SER HB2 H 3.857 0.001 2 1345 189 189 SER C C 177.328 0.001 1 1346 189 189 SER CA C 61.381 0.039 1 1347 189 189 SER CB C 62.406 0.002 1 1348 189 189 SER N N 112.302 0.032 1 1349 190 190 VAL H H 7.401 0.002 1 1350 190 190 VAL HA H 3.626 0.009 1 1351 190 190 VAL HB H 2.218 0.006 1 1352 190 190 VAL HG1 H 1.050 0.003 2 1353 190 190 VAL HG2 H 1.151 0.007 2 1354 190 190 VAL C C 178.602 0.017 1 1355 190 190 VAL CA C 67.017 0.023 1 1356 190 190 VAL CB C 31.949 0.111 1 1357 190 190 VAL CG1 C 23.236 0.045 2 1358 190 190 VAL CG2 C 21.534 0.051 2 1359 190 190 VAL N N 124.355 0.03 1 1360 191 191 ILE H H 8.503 0.005 1 1361 191 191 ILE HA H 3.619 0.008 1 1362 191 191 ILE HB H 2.012 0.007 1 1363 191 191 ILE HG12 H 1.008 0.004 2 1364 191 191 ILE HG13 H 1.533 0.009 2 1365 191 191 ILE HG2 H 0.935 0.003 1 1366 191 191 ILE HD1 H 0.709 0.005 1 1367 191 191 ILE C C 178.228 0.001 1 1368 191 191 ILE CA C 66.389 0.018 1 1369 191 191 ILE CB C 37.008 0.12 1 1370 191 191 ILE CG1 C 30.625 0.052 1 1371 191 191 ILE CG2 C 18.351 0.01 1 1372 191 191 ILE CD1 C 12.800 0.078 1 1373 191 191 ILE N N 121.593 0.035 1 1374 192 192 GLU H H 8.208 0.008 1 1375 192 192 GLU C C 179.181 0.03 1 1376 192 192 GLU CA C 58.961 0.037 1 1377 192 192 GLU CB C 28.969 0.001 1 1378 192 192 GLU N N 118.012 0.039 1 1379 193 193 LYS H H 7.612 0.002 1 1380 193 193 LYS HA H 3.995 0.001 1 1381 193 193 LYS C C 180.128 0.02 1 1382 193 193 LYS CA C 59.822 0.002 1 1383 193 193 LYS CB C 32.299 0.001 1 1384 193 193 LYS N N 120.634 0.034 1 1385 194 194 PHE H H 8.562 0.008 1 1386 194 194 PHE HA H 3.762 0.002 1 1387 194 194 PHE HB2 H 3.193 0.001 2 1388 194 194 PHE C C 177.151 0.022 1 1389 194 194 PHE CA C 62.758 0.0 1 1390 194 194 PHE CB C 39.214 0.001 1 1391 194 194 PHE N N 120.357 0.047 1 1392 195 195 ARG H H 8.648 0.004 1 1393 195 195 ARG HA H 3.657 0.001 1 1394 195 195 ARG HB2 H 2.029 0.001 2 1395 195 195 ARG C C 178.118 0.014 1 1396 195 195 ARG CA C 60.185 0.001 1 1397 195 195 ARG CB C 29.888 0.001 1 1398 195 195 ARG N N 119.466 0.046 1 1399 196 196 LYS H H 7.457 0.007 1 1400 196 196 LYS HA H 4.004 0.001 1 1401 196 196 LYS HB2 H 1.816 0.001 2 1402 196 196 LYS C C 178.722 0.029 1 1403 196 196 LYS CA C 59.109 0.019 1 1404 196 196 LYS CB C 32.453 0.032 1 1405 196 196 LYS N N 117.270 0.046 1 1406 197 197 LEU H H 7.605 0.013 1 1407 197 197 LEU HA H 4.045 0.001 1 1408 197 197 LEU HB2 H 1.506 0.001 2 1409 197 197 LEU HB3 H 1.544 0.001 2 1410 197 197 LEU C C 178.794 0.006 1 1411 197 197 LEU CA C 57.733 0.001 1 1412 197 197 LEU CB C 42.270 0.041 1 1413 197 197 LEU N N 120.660 0.03 1 1414 198 198 ILE H H 8.572 0.009 1 1415 198 198 ILE HA H 3.426 0.01 1 1416 198 198 ILE HB H 1.689 0.005 1 1417 198 198 ILE HG12 H 1.250 0.006 2 1418 198 198 ILE HG13 H 0.709 0.002 2 1419 198 198 ILE HG2 H 0.853 0.003 1 1420 198 198 ILE HD1 H 0.041 0.003 1 1421 198 198 ILE C C 177.635 0.012 1 1422 198 198 ILE CA C 65.371 0.039 1 1423 198 198 ILE CB C 36.704 0.001 1 1424 198 198 ILE CG1 C 30.142 0.015 1 1425 198 198 ILE CG2 C 18.230 0.001 1 1426 198 198 ILE CD1 C 12.506 0.07 1 1427 198 198 ILE N N 119.753 0.047 1 1428 199 199 ASP H H 8.025 0.008 1 1429 199 199 ASP HA H 4.404 0.001 1 1430 199 199 ASP HB2 H 2.579 0.001 2 1431 199 199 ASP HB3 H 2.809 0.001 2 1432 199 199 ASP C C 178.562 0.004 1 1433 199 199 ASP CA C 57.080 0.053 1 1434 199 199 ASP CB C 40.333 0.012 1 1435 199 199 ASP N N 119.030 0.029 1 1436 200 200 GLU H H 7.402 0.001 1 1437 200 200 GLU HA H 4.017 0.001 1 1438 200 200 GLU HB2 H 1.992 0.001 2 1439 200 200 GLU HB3 H 2.097 0.001 2 1440 200 200 GLU C C 177.654 0.004 1 1441 200 200 GLU CA C 58.194 0.011 1 1442 200 200 GLU CB C 30.142 0.077 1 1443 200 200 GLU N N 116.057 0.016 1 1444 201 201 LEU H H 8.005 0.004 1 1445 201 201 LEU HA H 4.403 0.008 1 1446 201 201 LEU HB2 H 1.756 0.001 2 1447 201 201 LEU HB3 H 1.337 0.001 2 1448 201 201 LEU HG H 1.790 0.007 1 1449 201 201 LEU HD1 H 0.706 0.007 2 1450 201 201 LEU HD2 H 0.660 0.004 2 1451 201 201 LEU C C 178.545 0.001 1 1452 201 201 LEU CA C 55.890 0.071 1 1453 201 201 LEU CB C 44.396 0.012 1 1454 201 201 LEU CG C 26.644 0.001 1 1455 201 201 LEU CD1 C 22.758 0.02 2 1456 201 201 LEU CD2 C 25.600 0.008 2 1457 201 201 LEU N N 115.802 0.036 1 1458 202 202 ASP H H 8.995 0.006 1 1459 202 202 ASP HA H 5.025 0.001 1 1460 202 202 ASP HB2 H 2.172 0.001 2 1461 202 202 ASP C C 174.219 0.004 1 1462 202 202 ASP CA C 53.832 0.025 1 1463 202 202 ASP CB C 39.806 0.001 1 1464 202 202 ASP N N 122.148 0.051 1 1465 203 203 VAL H H 7.498 0.003 1 1466 203 203 VAL HA H 4.525 0.008 1 1467 203 203 VAL HB H 1.986 0.009 1 1468 203 203 VAL HG1 H 0.776 0.003 2 1469 203 203 VAL HG2 H 0.639 0.005 2 1470 203 203 VAL C C 172.613 0.001 1 1471 203 203 VAL CA C 57.408 0.051 1 1472 203 203 VAL CB C 33.170 0.132 1 1473 203 203 VAL CG1 C 21.809 0.008 2 1474 203 203 VAL CG2 C 17.845 0.004 2 1475 203 203 VAL N N 115.863 0.025 1 1476 204 204 PRO HA H 3.822 0.001 1 1477 204 204 PRO HB2 H 1.576 0.001 2 1478 204 204 PRO HB3 H 1.736 0.001 2 1479 204 204 PRO C C 176.590 0.001 1 1480 204 204 PRO CA C 62.248 0.001 1 1481 204 204 PRO CB C 31.572 0.001 1 1482 205 205 ALA H H 8.111 0.005 1 1483 205 205 ALA HA H 4.159 0.001 1 1484 205 205 ALA HB H 1.314 0.001 1 1485 205 205 ALA C C 177.734 0.008 1 1486 205 205 ALA CA C 52.437 0.001 1 1487 205 205 ALA CB C 19.088 0.001 1 1488 205 205 ALA N N 123.451 0.056 1 1489 206 206 GLN H H 8.238 0.002 1 1490 206 206 GLN HA H 4.190 0.001 1 1491 206 206 GLN HB2 H 1.881 0.001 2 1492 206 206 GLN C C 175.831 0.007 1 1493 206 206 GLN CA C 55.767 0.031 1 1494 206 206 GLN CB C 29.381 0.023 1 1495 206 206 GLN N N 119.210 0.015 1 1496 207 207 GLN H H 8.338 0.003 1 1497 207 207 GLN HA H 4.242 0.001 1 1498 207 207 GLN HB2 H 1.986 0.001 2 1499 207 207 GLN C C 175.735 0.009 1 1500 207 207 GLN CA C 55.905 0.017 1 1501 207 207 GLN CB C 29.400 0.001 1 1502 207 207 GLN N N 121.703 0.017 1 1503 208 208 VAL H H 8.099 0.003 1 1504 208 208 VAL HA H 4.000 0.008 1 1505 208 208 VAL HB H 1.971 0.002 1 1506 208 208 VAL HG1 H 0.850 0.001 2 1507 208 208 VAL C C 175.844 0.001 1 1508 208 208 VAL CA C 62.339 0.077 1 1509 208 208 VAL CB C 32.597 0.044 1 1510 208 208 VAL CG1 C 20.920 0.001 2 1511 208 208 VAL N N 121.643 0.009 1 1512 212 212 ALA HA H 4.204 0.001 1 1513 212 212 ALA HB H 1.293 0.001 1 1514 212 212 ALA C C 177.461 0.001 1 1515 212 212 ALA CA C 52.543 0.001 1 1516 212 212 ALA CB C 19.064 0.001 1 1517 213 213 ARG H H 8.125 0.003 1 1518 213 213 ARG HA H 4.442 0.001 1 1519 213 213 ARG HB2 H 1.919 0.001 2 1520 213 213 ARG HB3 H 1.973 0.001 2 1521 213 213 ARG C C 176.174 0.006 1 1522 213 213 ARG CA C 56.011 0.036 1 1523 213 213 ARG CB C 30.719 0.009 1 1524 213 213 ARG N N 120.090 0.017 1 1525 214 214 ILE H H 8.107 0.001 1 1526 214 214 ILE HA H 4.061 0.002 1 1527 214 214 ILE HB H 1.783 0.003 1 1528 214 214 ILE HG12 H 1.408 0.003 2 1529 214 214 ILE HG13 H 1.106 0.003 2 1530 214 214 ILE HG2 H 0.808 0.015 1 1531 214 214 ILE HD1 H 0.778 0.017 1 1532 214 214 ILE C C 176.213 0.045 1 1533 214 214 ILE CA C 61.259 0.009 1 1534 214 214 ILE CB C 38.404 0.107 1 1535 214 214 ILE CG1 C 27.310 0.06 1 1536 214 214 ILE CG2 C 17.404 0.014 1 1537 214 214 ILE CD1 C 12.673 0.031 1 1538 214 214 ILE N N 122.743 0.029 1 1539 215 215 VAL H H 8.113 0.002 1 1540 215 215 VAL HA H 3.994 0.001 1 1541 215 215 VAL HB H 1.963 0.001 1 1542 215 215 VAL HG1 H 0.852 0.001 2 1543 215 215 VAL C C 176.009 0.035 1 1544 215 215 VAL CA C 62.431 0.009 1 1545 215 215 VAL CB C 32.586 0.029 1 1546 215 215 VAL CG1 C 20.754 0.001 2 1547 215 215 VAL N N 124.437 0.022 1 1548 216 216 GLU H H 8.359 0.002 1 1549 216 216 GLU HA H 4.149 0.001 1 1550 216 216 GLU HB2 H 1.845 0.001 2 1551 216 216 GLU HB3 H 1.947 0.001 2 1552 216 216 GLU C C 176.034 0.035 1 1553 216 216 GLU CA C 56.553 0.038 1 1554 216 216 GLU CB C 30.226 0.014 1 1555 216 216 GLU N N 124.563 0.028 1 1556 217 217 ALA H H 8.205 0.002 1 1557 217 217 ALA HA H 4.203 0.001 1 1558 217 217 ALA HB H 1.301 0.001 1 1559 217 217 ALA C C 177.539 0.023 1 1560 217 217 ALA CA C 52.451 0.023 1 1561 217 217 ALA CB C 19.144 0.069 1 1562 217 217 ALA N N 125.038 0.01 1 1563 218 218 ALA H H 8.232 0.003 1 1564 218 218 ALA HA H 4.180 0.001 1 1565 218 218 ALA C C 177.573 0.005 1 1566 218 218 ALA CA C 52.671 0.055 1 1567 218 218 ALA CB C 19.071 0.018 1 1568 218 218 ALA N N 123.322 0.028 1 1569 219 219 ASP H H 8.140 0.001 1 1570 219 219 ASP HA H 4.468 0.001 1 1571 219 219 ASP HB2 H 2.591 0.001 2 1572 219 219 ASP C C 176.830 0.001 1 1573 219 219 ASP CA C 54.351 0.012 1 1574 219 219 ASP CB C 41.077 0.006 1 1575 219 219 ASP N N 118.735 0.005 1 1576 220 220 GLY H H 8.145 0.002 1 1577 220 220 GLY HA2 H 3.782 0.001 2 1578 220 220 GLY C C 174.192 0.009 1 1579 220 220 GLY CA C 45.528 0.003 1 1580 220 220 GLY N N 108.486 0.011 1 1581 221 221 PHE H H 8.011 0.001 1 1582 221 221 PHE HA H 4.544 0.001 1 1583 221 221 PHE HB2 H 2.972 0.001 2 1584 221 221 PHE HB3 H 3.078 0.001 2 1585 221 221 PHE C C 175.933 0.006 1 1586 221 221 PHE CA C 57.992 0.005 1 1587 221 221 PHE CB C 39.445 0.008 1 1588 221 221 PHE N N 119.761 0.011 1 1589 222 222 SER H H 8.156 0.002 1 1590 222 222 SER HA H 4.306 0.001 1 1591 222 222 SER HB2 H 3.774 0.001 2 1592 222 222 SER HB3 H 3.734 0.001 2 1593 222 222 SER C C 174.558 0.009 1 1594 222 222 SER CA C 58.358 0.042 1 1595 222 222 SER CB C 63.651 0.014 1 1596 222 222 SER N N 116.984 0.02 1 1597 223 223 ARG H H 8.227 0.003 1 1598 223 223 ARG HA H 4.208 0.001 1 1599 223 223 ARG HB2 H 1.681 0.001 2 1600 223 223 ARG HB3 H 1.780 0.001 2 1601 223 223 ARG C C 175.938 0.01 1 1602 223 223 ARG CA C 56.421 0.007 1 1603 223 223 ARG CB C 30.638 0.006 1 1604 223 223 ARG N N 122.979 0.02 1 1605 224 224 ASP H H 8.208 0.003 1 1606 224 224 ASP HA H 4.243 0.001 1 1607 224 224 ASP HB2 H 2.509 0.001 2 1608 224 224 ASP HB3 H 2.643 0.001 2 1609 224 224 ASP C C 176.342 0.02 1 1610 224 224 ASP CA C 54.397 0.006 1 1611 224 224 ASP CB C 41.018 0.016 1 1612 224 224 ASP N N 120.562 0.019 1 1613 225 225 LEU H H 8.129 0.007 1 1614 225 225 LEU HA H 4.212 0.006 1 1615 225 225 LEU HB2 H 1.526 0.001 2 1616 225 225 LEU HB3 H 1.596 0.001 2 1617 225 225 LEU HD1 H 0.760 0.001 2 1618 225 225 LEU HD2 H 0.825 0.001 2 1619 225 225 LEU C C 178.030 0.004 1 1620 225 225 LEU CA C 55.528 0.019 1 1621 225 225 LEU CB C 42.018 0.012 1 1622 225 225 LEU CD1 C 23.157 0.001 2 1623 225 225 LEU CD2 C 24.914 0.001 2 1624 225 225 LEU N N 122.690 0.019 1 1625 226 226 GLY H H 8.346 0.002 1 1626 226 226 GLY HA2 H 3.851 0.001 2 1627 226 226 GLY C C 174.321 0.005 1 1628 226 226 GLY CA C 45.503 0.001 1 1629 226 226 GLY N N 108.639 0.008 1 1630 227 227 VAL H H 7.732 0.002 1 1631 227 227 VAL HA H 3.971 0.001 1 1632 227 227 VAL HB H 1.942 0.001 1 1633 227 227 VAL HG1 H 0.774 0.001 2 1634 227 227 VAL HG2 H 0.827 0.001 2 1635 227 227 VAL C C 176.195 0.011 1 1636 227 227 VAL CA C 62.432 0.0 1 1637 227 227 VAL CB C 32.455 0.014 1 1638 227 227 VAL CG1 C 21.401 0.001 2 1639 227 227 VAL CG2 C 20.342 0.001 2 1640 227 227 VAL N N 118.979 0.011 1 1641 228 228 LYS H H 8.196 0.002 1 1642 228 228 LYS HA H 4.178 0.001 1 1643 228 228 LYS HB2 H 1.584 0.001 2 1644 228 228 LYS HB3 H 1.286 0.001 2 1645 228 228 LYS C C 176.225 0.001 1 1646 228 228 LYS CA C 56.208 0.015 1 1647 228 228 LYS CB C 32.882 0.038 1 1648 228 228 LYS N N 124.155 0.009 1 1649 229 229 PHE H H 8.155 0.003 1 1650 229 229 PHE HA H 4.528 0.001 1 1651 229 229 PHE HB2 H 2.926 0.001 2 1652 229 229 PHE HB3 H 3.074 0.001 2 1653 229 229 PHE C C 176.250 0.015 1 1654 229 229 PHE CA C 57.855 0.001 1 1655 229 229 PHE CB C 39.522 0.011 1 1656 229 229 PHE N N 120.821 0.021 1 1657 230 230 GLY H H 8.221 0.002 1 1658 230 230 GLY HA2 H 3.825 0.001 2 1659 230 230 GLY C C 173.859 0.007 1 1660 230 230 GLY CA C 45.182 0.013 1 1661 230 230 GLY N N 110.395 0.015 1 1662 231 231 ALA H H 8.113 0.002 1 1663 231 231 ALA HA H 4.316 0.001 1 1664 231 231 ALA HB H 1.335 0.001 1 1665 231 231 ALA C C 178.146 0.003 1 1666 231 231 ALA CA C 52.598 0.013 1 1667 231 231 ALA CB C 19.215 0.052 1 1668 231 231 ALA N N 123.695 0.034 1 1669 232 232 THR H H 8.092 0.003 1 1670 232 232 THR HA H 4.278 0.001 1 1671 232 232 THR HB H 4.170 0.001 1 1672 232 232 THR C C 175.201 0.023 1 1673 232 232 THR CA C 61.925 0.021 1 1674 232 232 THR CB C 69.781 0.014 1 1675 232 232 THR N N 112.274 0.006 1 1676 233 233 GLY H H 8.271 0.002 1 1677 233 233 GLY HA2 H 3.879 0.001 2 1678 233 233 GLY C C 173.869 0.008 1 1679 233 233 GLY CA C 45.248 0.009 1 1680 233 233 GLY N N 110.823 0.034 1 1681 234 234 LYS H H 8.057 0.002 1 1682 234 234 LYS HA H 4.216 0.001 1 1683 234 234 LYS HB2 H 1.625 0.001 2 1684 234 234 LYS HB3 H 1.731 0.001 2 1685 234 234 LYS C C 176.436 0.022 1 1686 234 234 LYS CA C 56.062 0.0 1 1687 234 234 LYS CB C 33.063 0.031 1 1688 234 234 LYS N N 120.863 0.023 1 1689 235 235 LYS H H 8.249 0.003 1 1690 235 235 LYS HA H 4.196 0.001 1 1691 235 235 LYS HB2 H 1.705 0.001 2 1692 235 235 LYS HB3 H 1.660 0.001 2 1693 235 235 LYS C C 176.044 0.015 1 1694 235 235 LYS CA C 56.221 0.012 1 1695 235 235 LYS CB C 33.057 0.068 1 1696 235 235 LYS N N 123.088 0.01 1 1697 236 236 LYS H H 8.271 0.002 1 1698 236 236 LYS HA H 4.224 0.001 1 1699 236 236 LYS HB2 H 1.647 0.001 2 1700 236 236 LYS HB3 H 1.756 0.001 2 1701 236 236 LYS C C 175.238 0.005 1 1702 236 236 LYS CA C 56.232 0.001 1 1703 236 236 LYS CB C 32.960 0.001 1 1704 236 236 LYS N N 124.126 0.005 1 1705 237 237 LEU H H 7.850 0.002 1 1706 237 237 LEU HA H 4.102 0.001 1 1707 237 237 LEU HB2 H 1.496 0.001 2 1708 237 237 LEU C C 170.290 0.01 1 1709 237 237 LEU CA C 56.573 0.001 1 1710 237 237 LEU CB C 43.259 0.001 1 1711 237 237 LEU N N 130.031 0.007 1 stop_ save_